Ki Summary

Reaction Details

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Target

Chitin synthase 1

Ligand

BDBM50089541

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_539533 (CHEMBL1032342)

IC50

0.200000±n/a nM

Citation

Escalante, A; Gattuso, M; Pérez, P; Zacchino, S Evidence for the mechanism of action of the antifungal phytolaccoside B isolated from Phytolacca tetramera Hauman. J Nat Prod71:1720-5 (2008) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Chitin synthase 1

Name:

Chitin synthase 1

Synonyms:

CHS1 | CHS1_YEAST

Type:

PROTEIN

Mol. Mass.:

129864.18

Organism:

Saccharomyces cerevisiae

Description:

ChEMBL_539532

Residue:

1131

Sequence:

MSDQNNRSRNEYHSNRKNEPSYELQNAHSGLFHSSNEELTNRNQRYTNQNASMGSFTPVQ
SLQFPEQSQQTNMLYNGDDGNNNTINDNERDIYGGFVNHHRQRPPPATAEYNDVFNTNSQ
QLPSEHQYNNVPSYPLPSINVIQTTPELIHNGSQTMATPIERPFFNENDYYYNNRNSRTS
PSIASSSDGYADQEARPILEQPNNNMNSGNIPQYHDQPFGYNNGYHGLQAKDYYDDPEGG
YIDQRGDDYQINSYLGRNGEMVDPYDYENSLRHMTPMERREYLHDDSRPVNDGKEELDSV
KSGYSHRDLGEYDKDDFSRDDEYDDLNTIDKLQFQANGVPASSSVSSIGSKESDIIVSND
NLTANRALKRSGTEIRKFKLWNGNFVFDSPISKTLLDQYATTTENANTLPNEFKFMRYQA
VTCEPNQLAEKNFTVRQLKYLTPRETELMLVVTMYNEDHILLGRTLKGIMDNVKYMVKKK
NSSTWGPDAWKKIVVCIISDGRSKINERSLALLSSLGCYQDGFAKDEINEKKVAMHVYEH
TTMINITNISESEVSLECNQGTVPIQLLFCLKEQNQKKINSHRWAFEGFAELLRPNIVTL
LDAGTMPGKDSIYQLWREFRNPNVGGACGEIRTDLGKRFVKLLNPLVASQNFEYKMSNIL
DKTTESNFGFITVLPGAFSAYRFEAVRGQPLQKYFYGEIMENEGFHFFSSNMYLAEDRIL
CFEVVTKKNCNWILKYCRSSYASTDVPERVPEFILQRRRWLNGSFFASVYSFCHFYRVWS
SGHNIGRKLLLTVEFFYLFFNTLISWFSLSSFFLVFRILTVSIALAYHSAFNVLSVIFLW
LYGICTLSTFILSLGNKPKSTEKFYVLTCVIFAVMMIYMIFCSIFMSVKSFQNILKNDTI
SFEGLITTEAFRDIVISLGSTYCLYLISSIIYLQPWHMLTSFIQYILLSPSYINVLNIYA
FCNVHDLSWGTKGAMANPLGKINTTEDGTFKMEVLVSSSEIQANYDKYLKVLNDFDPKSE
SRPTEPSYDEKKTGYYANVRSLVIIFWVITNFIIVAVVLETGGIADYIAMKSISTDDTLE
TAKKAEIPLMTSKASIYFNVILWLVALSALIRFIGCSIYMIVRFFKKVTFR

BDBM50089541

n/a

Name

BDBM50089541

Synonyms:

(R)-[(S)-(2S,3S,4S)-2-Amino-4-hydroxy-4-(5-hydroxy-pyridin-2-yl)-3-methyl-butyrylamino]-[(3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydro-furan-2-yl]-acetic acid | (S)-2-((2S,3S,4S)-2-amino-4-hydroxy-4-(5-hydroxypyridin-2-yl)-3-methylbutanamido)-2-((2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl)acetic acid | (S)-[(2R,3R,4R)-2-Amino-4-hydroxy-4-(5-hydroxy-pyridin-2-yl)-3-methyl-butyrylamino]-[(S)-5-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydro-furan-2-yl]-acetic acid | (S)-[(2S,3S,4S)-2-Amino-4-hydroxy-4-(5-hydroxy-pyridin-2-yl)-3-methyl-butyrylamino]-[(2R,3R,5R)-5-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydro-furan-2-yl]-acetic acid | (S)-[(2S,3S,4S)-2-Amino-4-hydroxy-4-(5-hydroxy-pyridin-2-yl)-3-methyl-butyrylamino]-[5-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydro-furan-2-yl]-acetic acid | CHEMBL35306 | NIKKOMYCIN | [(S)-(2S,3S,4S)-2-Amino-4-hydroxy-4-(5-hydroxy-pyridin-2-yl)-3-methyl-butyrylamino]-[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydro-furan-2-yl]-acetic acid | [(S)-2-Amino-4-hydroxy-4-((1S,2S)-5-hydroxy-pyridin-2-yl)-3-methyl-butyrylamino]-[5-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydro-furan-2-yl]-acetic acid | [2-Amino-4-hydroxy-4-(5-hydroxy-pyridin-2-yl)-3-methyl-butyrylamino]-[5-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydro-furan-2-yl]-acetic acid(nikkomycin Z) | nikkomycin Z

Type

Small organic molecule

Emp. Form.

C20H25N5O10

Mol. Mass.

495.44

SMILES

C[C@@H]([C@H](N)C(=O)N[C@@H]([C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O)C(O)=O)[C@H](O)c1ccc(O)cn1 |r|

Structure