BioLiP

PDB

BioLiP

PDB CCD ID:

124

Number of entries in BioLiP:

Chemical formula:

C15 H14 N3 O

InChI:

InChI=1S/C15H13N3O/c16-15(17)9-5-6-12-10(7-9)8-13(18-12)11-3-1-2-4-14(11)19/h1-8,18-19H,(H3,16,17)/p+1

InChIKey:

JPGNPKIYCTXJPG-UHFFFAOYSA-O

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1ccc(c(c1)c2cc3cc(ccc3[nH]2)C(=[NH2+])N)O
CACTVS 3.341	NC(=[NH2+])c1ccc2[nH]c(cc2c1)c3ccccc3O
ACDLabs 10.04	Oc3ccccc3c2cc1cc(ccc1n2)\C(=[NH2+])N

Name:

2-(2-HYDROXY-PHENYL)-1H-INDOLE-5-CARBOXAMIDINE

DrugBank:

DB02463

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).