BioLiP

PDB

BioLiP

PDB CCD ID:

WNG

Number of entries in BioLiP:

Chemical formula:

C15 H13 N3

InChI:

InChI=1S/C15H13N3/c1-2-6-12(7-3-1)10-11-16-15-17-13-8-4-5-9-14(13)18-15/h1-11H,(H2,16,17,18)/b11-10-

InChIKey:

NDQBJQDKEBGGFW-KHPPLWFESA-N

SMILES:

Software	SMILES
CACTVS 3.385	N(C=Cc1ccccc1)c2[nH]c3ccccc3n2
ACDLabs 12.01	c2(nc1c(cccc1)n2)N[C@H]=Cc3ccccc3
OpenEye OEToolkits 2.0.7	c1ccc(cc1)/C=C\Nc2[nH]c3ccccc3n2
OpenEye OEToolkits 2.0.7	c1ccc(cc1)C=CNc2[nH]c3ccccc3n2
CACTVS 3.385	N(\C=C/c1ccccc1)c2[nH]c3ccccc3n2

Name:

N-[(Z)-2-phenylethenyl]-1H-benzimidazol-2-amine

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).