| Reaction Details |
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 | Report a problem with these data |
| Target | Integrin beta-1 |
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| Ligand | BDBM50137079 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_217305 (CHEMBL823926) |
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| IC50 | 1443000±n/a nM |
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| Citation |  Locardi, E; Boer, J; Modlinger, A; Schuster, A; Holzmann, B; Kessler, H Synthesis and structure-activity relationship of mannose-based peptidomimetics selectively blocking integrin alpha4beta7 binding to mucosal addressin cell adhesion molecule-1. J Med Chem46:5752-62 (2003) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Integrin beta-1 |
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| Name: | Integrin beta-1 |
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| Synonyms: | CD_antigen=CD29 | FNRB | Fibronectin receptor beta | Fibronectin receptor subunit beta | GPIIA | ITB1_HUMAN | ITGB1 | Integrin Glycoprotein IIa | MDF2 | MSK12 |
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| Type: | Enzyme |
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| Mol. Mass.: | 88400.38 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P05556 |
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| Residue: | 798 |
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| Sequence: | MNLQPIFWIGLISSVCCVFAQTDENRCLKANAKSCGECIQAGPNCGWCTNSTFLQEGMPT
SARCDDLEALKKKGCPPDDIENPRGSKDIKKNKNVTNRSKGTAEKLKPEDITQIQPQQLV
LRLRSGEPQTFTLKFKRAEDYPIDLYYLMDLSYSMKDDLENVKSLGTDLMNEMRRITSDF
RIGFGSFVEKTVMPYISTTPAKLRNPCTSEQNCTSPFSYKNVLSLTNKGEVFNELVGKQR
ISGNLDSPEGGFDAIMQVAVCGSLIGWRNVTRLLVFSTDAGFHFAGDGKLGGIVLPNDGQ
CHLENNMYTMSHYYDYPSIAHLVQKLSENNIQTIFAVTEEFQPVYKELKNLIPKSAVGTL
SANSSNVIQLIIDAYNSLSSEVILENGKLSEGVTISYKSYCKNGVNGTGENGRKCSNISI
GDEVQFEISITSNKCPKKDSDSFKIRPLGFTEEVEVILQYICECECQSEGIPESPKCHEG
NGTFECGACRCNEGRVGRHCECSTDEVNSEDMDAYCRKENSSEICSNNGECVCGQCVCRK
RDNTNEIYSGKFCECDNFNCDRSNGLICGGNGVCKCRVCECNPNYTGSACDCSLDTSTCE
ASNGQICNGRGICECGVCKCTDPKFQGQTCEMCQTCLGVCAEHKECVQCRAFNKGEKKDT
CTQECSYFNITKVESRDKLPQPVQPDPVSHCKEKDVDDCWFYFTYSVNGNNEVMVHVVEN
PECPTGPDIIPIVAGVVAGIVLIGLALLLIWKLLMIIHDRREFAKFEKEKMNAKWDTGEN
PIYKSAVTTVVNPKYEGK
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| BDBM50137079 |
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| n/a |
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| Name | BDBM50137079 |
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| Synonyms: | (S)-17-Amino-11-((S)-sec-butyl)-14-(2-carbamoyl-ethyl)-8-carboxymethyl-5-hydroxymethyl-7,13,24-tri(R)-oxo-4,10-di(S)-oxo-16-oxo-docosahydro-19,20-dithia-3a,6,9,12,15,23-hexaaza-cyclopentacyclotricosene-22-carboxylic acid | CHEMBL154655 |
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| Type | Small organic molecule |
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| Emp. Form. | C29H46N8O12S2 |
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| Mol. Mass. | 762.852 |
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| SMILES | CC[C@H](C)[C@@H]1NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](N)CSSC[C@@H](NC(=O)[C@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@@H](CC(O)=O)NC1=O)C(O)=O |
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| Structure | 
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