Reaction Details Report a problem with these data
Target
Neuropilin-1
Ligand
BDBM94227
Substrate
n/a
IC50
>95000±n/a nM
Citation
 PubChem, PC Dose Response confirmation of small molecule modulators of the interaction between CendR and NRP-1 in a panel assay PubChem Bioassay (2012)[AID] 
Target
Name:
Neuropilin-1
Synonyms:
Chain A, Crystal Structure Of The B1b2 Domains From Human Neuropilin- 1 | NRP | NRP1 | NRP1_HUMAN | Neuropilin-1 | VEGF165R
Type:
PROTEIN
Mol. Mass.:
103122.09
Organism:
Homo sapiens (Human)
Description:
ChEMBL_617636
Residue:
923
Sequence:
MERGLPLLCAVLALVLAPAGAFRNDKCGDTIKIESPGYLTSPGYPHSYHPSEKCEWLIQAPDPYQRIMINFNPHFDLEDRDCKYDYVEVFDGENENGHFRGKFCGKIAPPPVVSSGPFLFIKFVSDYETHGAGFSIRYEIFKRGPECSQNYTTPSGVIKSPGFPEKYPNSLECTYIVFVPKMSEIILEFESFDLEPDSNPPGGMFCRYDRLEIWDGFPDVGPHIGRYCGQKTPGRIRSSSGILSMVFYTDSAIAKEGFSANYSVLQSSVSEDFKCMEALGMESGEIHSDQITASSQYSTNWSAERSRLNYPENGWTPGEDSYREWIQVDLGLLRFVTAVGTQGAISKETKKKYYVKTYKIDVSSNGEDWITIKEGNKPVLFQGNTNPTDVVVAVFPKPLITRFVRIKPATWETGISMRFEVYGCKITDYPCSGMLGMVSGLISDSQITSSNQGDRNWMPENIRLVTSRSGWALPPAPHSYINEWLQIDLGEEKIVRGIIIQGGKHRENKVFMRKFKIGYSNNGSDWKMIMDDSKRKAKSFEGNNNYDTPELRTFPALSTRFIRIYPERATHGGLGLRMELLGCEVEAPTAGPTTPNGNLVDECDDDQANCHSGTGDDFQLTGGTTVLATEKPTVIDSTIQSEFPTYGFNCEFGWGSHKTFCHWEHDNHVQLKWSVLTSKTGPIQDHTGDGNFIYSQADENQKGKVARLVSPVVYSQNSAHCMTFWYHMSGSHVGTLRVKLRYQKPEEYDQLVWMAIGHQGDHWKEGRVLLHKSLKLYQVIFEGEIGKGNLGGIAVDDISINNHISQEDCAKPADLDKKNPEIKIDETGSTPGYEGEGEGDKNISRKPGNVLKTLDPILITIIAMSALGVLLGAVCGVVLYCACWHNGMSERNLSALENYNFELVDGVKLKKDKLNTQSTYSEA
  
Inhibitor
Name:
BDBM94227
Synonyms:
(2S)-2-(1,1-diketo-5-methylene-3,4-dihydro-1,2-benzothiazepin-2-yl)-N-isoamyl-4-methyl-valeramide | (2S)-4-methyl-N-(3-methylbutyl)-2-(5-methylene-1,1-dioxo-3,4-dihydro-1,2-benzothiazepin-2-yl)pentanamide | (2S)-4-methyl-N-(3-methylbutyl)-2-(5-methylidene-1,1-dioxo-3,4-dihydro-1,2-benzothiazepin-2-yl)pentanamide | (2S)-4-methyl-N-(3-methylbutyl)-2-[5-methylidene-1,1-bis(oxidanylidene)-3,4-dihydro-1,2-benzothiazepin-2-yl]pentanamide | MLS000879513 | SMR000525360 | cid_24747472
Type:
Small organic molecule
Emp. Form.:
C21H32N2O3S
Mol. Mass.:
392.555
SMILES:
CC(C)CCNC(=O)[C@H](CC(C)C)N1CCC(=C)c2ccccc2S1(=O)=O
Structure:
Search PDB for entries with ligand similarity: