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Target
Neuropilin-1
Ligand
BDBM94076
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:
BDBM94076
Synonyms:
MLS000723152 | N-[[5-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide | N-[[5-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide | N-[[5-[[2-(4-fluoroanilino)-2-keto-ethyl]thio]-4-phenyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide | N-[[5-[[2-(4-fluoroanilino)-2-oxoethyl]thio]-4-phenyl-1,2,4-triazol-3-yl]methyl]-1-adamantanecarboxamide | SMR000236043 | cid_3570682
Type:
Small organic molecule
Emp. Form.:
C28H30FN5O2S
Mol. Mass.:
519.634
SMILES:
[H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(=O)NCc1nnc(SCC(=O)Nc2ccc(F)cc2)n1-c1ccccc1 |TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:5:6:11:3.12.2|
Structure:
Search PDB for entries with ligand similarity: