BioLiP

PDB

BioLiP

PDB CCD ID:

4ND

Number of entries in BioLiP:

Chemical formula:

C14 H15 N5 O

InChI:

InChI=1S/C14H15N5O/c15-13(16)17-18-14(20)19(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H,18,20)(H4,15,16,17)

InChIKey:

QLXOHIUDKNRVBZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.341	NC(=N)NNC(=O)N(c1ccccc1)c2ccccc2
ACDLabs 10.04	O=C(N(c1ccccc1)c2ccccc2)NNC(=[N@H])N
OpenEye OEToolkits 1.5.0	c1ccc(cc1)N(c2ccccc2)C(=O)NNC(=N)N

Name:

N4-(N,N-DIPHENYLCARBAMOYL)-AMINOGUANIDINE

DrugBank:

DB07120

ZINC:

ZINC000006228838

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).