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TargetIntegrin alpha-V
LigandBDBM50260255
Substrate/Competitorn/a
Meas. Tech.ChEMBL_504851 (CHEMBL983998)
IC50 28700±n/a nM
Citation DiCara, DRapisarda, CSutcliffe, JLViolette, SMWeinreb, PHHart, IRHoward, MJMarshall, JF Structure-function analysis of Arg-Gly-Asp helix motifs in alpha v beta 6 integrin ligands. J Biol Chem282:9657-65 (2007) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Integrin alpha-V
Name:Integrin alpha-V
Synonyms:ITAV_HUMAN | ITGAV | Integrin alpha-V/alpha-5 | MSK8 | VNRA | VTNR | Vitronectin receptor | Vitronectin receptor subunit alpha
Type:PROTEIN
Mol. Mass.:116024.92
Organism:Homo sapiens (Human)
Description:ChEMBL_582336
Residue:1048
Sequence:
MAFPPRRRLRLGPRGLPLLLSGLLLPLCRAFNLDVDSPAEYSGPEGSYFGFAVDFFVPSA
SSRMFLLVGAPKANTTQPGIVEGGQVLKCDWSSTRRCQPIEFDATGNRDYAKDDPLEFKS
HQWFGASVRSKQDKILACAPLYHWRTEMKQEREPVGTCFLQDGTKTVEYAPCRSQDIDAD
GQGFCQGGFSIDFTKADRVLLGGPGSFYWQGQLISDQVAEIVSKYDPNVYSIKYNNQLAT
RTAQAIFDDSYLGYSVAVGDFNGDGIDDFVSGVPRAARTLGMVYIYDGKNMSSLYNFTGE
QMAAYFGFSVAATDINGDDYADVFIGAPLFMDRGSDGKLQEVGQVSVSLQRASGDFQTTK
LNGFEVFARFGSAIAPLGDLDQDGFNDIAIAAPYGGEDKKGIVYIFNGRSTGLNAVPSQI
LEGQWAARSMPPSFGYSMKGATDIDKNGYPDLIVGAFGVDRAILYRARPVITVNAGLEVY
PSILNQDNKTCSLPGTALKVSCFNVRFCLKADGKGVLPRKLNFQVELLLDKLKQKGAIRR
ALFLYSRSPSHSKNMTISRGGLMQCEELIAYLRDESEFRDKLTPITIFMEYRLDYRTAAD
TTGLQPILNQFTPANISRQAHILLDCGEDNVCKPKLEVSVDSDQKKIYIGDDNPLTLIVK
AQNQGEGAYEAELIVSIPLQADFIGVVRNNEALARLSCAFKTENQTRQVVCDLGNPMKAG
TQLLAGLRFSVHQQSEMDTSVKFDLQIQSSNLFDKVSPVVSHKVDLAVLAAVEIRGVSSP
DHVFLPIPNWEHKENPETEEDVGPVVQHIYELRNNGPSSFSKAMLHLQWPYKYNNNTLLY
ILHYDIDGPMNCTSDMEINPLRIKISSLQTTEKNDTVAGQGERDHLITKRDLALSEGDIH
TLGCGVAQCLKIVCQVGRLDRGKSAILYVKSLLWTETFMNKENQNHSYSLKSSASFNVIE
FPYKNLPIEDITNSTLVTTNVTWGIQPAPMPVPVWVIILAVLAGLLLLAVLVFVMYRMGF
FKRVRPPQEEQEREQLQPHENGEGNSET
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50260255
n/a
NameBDBM50260255
Synonyms:CHEMBL526119 | GFTTGRRGDLATIHGMNRPF
TypeSmall organic molecule
Emp. Form.C95H150N32O27S
Mol. Mass.2204.471
SMILESCC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CN)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r,wU:67.67,84.86,37.44,25.29,12.12,4.4,118.119,126.127,140.143,wD:71.79,63.63,87.89,48.55,17.21,8.8,90.92,2.2,96.96,110.111,144.146,(16.9,-30.98,;16.9,-32.54,;18.22,-33.3,;19.56,-32.52,;18.22,-34.82,;16.9,-35.59,;15.55,-34.81,;15.55,-33.28,;14.23,-35.57,;12.89,-34.8,;11.56,-35.56,;11.56,-37.11,;10.22,-34.78,;10.22,-33.26,;8.9,-35.54,;7.55,-34.77,;7.55,-33.24,;6.23,-35.53,;6.23,-37.08,;7.55,-37.85,;7.55,-39.4,;8.88,-37.08,;4.89,-34.75,;3.56,-35.52,;3.56,-37.07,;2.22,-34.74,;2.22,-33.21,;3.56,-32.44,;4.91,-33.21,;3.56,-30.91,;.9,-35.51,;-.45,-34.73,;-.45,-33.2,;-1.77,-35.49,;-3.12,-34.71,;-4.43,-35.48,;-4.43,-37.03,;-5.78,-34.7,;-5.78,-33.17,;-4.43,-32.4,;-4.43,-30.87,;-3.1,-30.09,;-3.1,-28.57,;-4.41,-27.81,;-1.75,-27.79,;-7.11,-35.46,;-8.45,-34.69,;-8.45,-33.16,;-9.77,-35.46,;-9.77,-37,;-8.45,-37.77,;-8.45,-39.32,;-7.13,-40.08,;-7.13,-41.64,;-8.47,-42.41,;-5.81,-42.4,;-11.12,-34.68,;-12.45,-35.44,;-12.45,-37,;-13.79,-34.66,;-15.12,-35.42,;-16.46,-34.65,;-16.46,-33.12,;-17.79,-35.41,;-19.13,-34.64,;-20.45,-35.4,;-20.45,-36.95,;-21.8,-34.63,;-23.12,-35.39,;-24.47,-34.61,;-24.47,-33.08,;-25.79,-35.38,;-25.79,-36.92,;-24.46,-37.69,;-23.13,-36.94,;-21.8,-37.72,;-21.81,-39.26,;-23.15,-40.01,;-24.48,-39.24,;-27.12,-34.61,;-28.45,-35.38,;-28.45,-36.91,;-29.8,-34.6,;-31.12,-35.37,;-21.8,-33.1,;-23.12,-32.33,;-20.45,-32.32,;-17.79,-36.96,;-19.13,-37.74,;-16.46,-37.73,;14.23,-37.13,;12.89,-37.9,;15.55,-37.89,;19.56,-35.6,;19.56,-37.16,;20.89,-34.84,;22.24,-35.62,;22.24,-37.17,;23.56,-37.93,;24.95,-37.32,;25.98,-38.47,;25.21,-39.8,;23.71,-39.48,;23.56,-34.85,;23.56,-33.32,;24.9,-35.63,;26.22,-34.86,;27.57,-35.64,;27.57,-37.19,;28.89,-34.88,;30.24,-35.65,;30.24,-37.21,;31.56,-37.97,;31.56,-39.53,;32.88,-40.29,;31.56,-34.89,;31.56,-33.37,;32.9,-35.67,;34.23,-34.91,;34.23,-33.38,;35.57,-32.6,;36.91,-33.38,;35.57,-31.07,;35.57,-35.68,;35.57,-37.24,;36.89,-34.92,;38.24,-35.69,;39.56,-34.93,;39.56,-33.41,;40.91,-32.63,;40.91,-31.1,;42.25,-30.33,;43.6,-31.1,;42.25,-28.8,;38.24,-37.25,;36.89,-38.03,;39.56,-38.01,;41.14,-37.47,;42.17,-38.8,;41.22,-40.18,;39.82,-39.5,;38.59,-40.43,;37.2,-39.76,;38.69,-41.97,;37.42,-42.83,;36.04,-42.15,;34.76,-43.01,;34.87,-44.56,;33.59,-45.42,;32.21,-44.74,;32.1,-43.2,;33.38,-42.34,;37.53,-44.37,;36.25,-45.23,;38.91,-45.04,)|
Structure
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