BioLiP

PDB

BioLiP

PDB CCD ID:

D83

Number of entries in BioLiP:

Chemical formula:

C22 H19 N5

InChI:

InChI=1S/C22H19N5/c23-21(24)16-7-3-14(4-8-16)13-1-5-15(6-2-13)19-11-17-9-10-18(22(25)26)12-20(17)27-19/h1-12,27H,(H3,23,24)(H3,25,26)

InChIKey:

UCQUHTKKHKLNML-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.2	c1cc(ccc1c2ccc(cc2)C(=N)N)c3cc4ccc(cc4[nH]3)C(=N)N
OpenEye OEToolkits 1.7.2	[H]/N=C(/c1ccc(cc1)c2ccc(cc2)c3cc4ccc(cc4[nH]3)/C(=N\[H])/N)\N
ACDLabs 12.01	[N@H]=C(N)c1ccc(cc1)c4ccc(c3cc2ccc(cc2n3)C(=[N@H])N)cc4
CACTVS 3.370	NC(=N)c1ccc(cc1)c2ccc(cc2)c3[nH]c4cc(ccc4c3)C(N)=N

Name:

2-(4'-carbamimidoylbiphenyl-4-yl)-1H-indole-6-carboximidamide

ChEMBL:

CHEMBL1765480

ZINC:

ZINC000071316227

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).