BioLiP

PDB

BioLiP

PDB CCD ID:

SNU

Number of entries in BioLiP:

Chemical formula:

C10 H10 N2

InChI:

InChI=1S/C10H10N2/c11-9-3-5-10(6-4-9)12-7-1-2-8-12/h1-8H,11H2

InChIKey:

NHLHWHRXMZZWGA-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.2	c1ccn(c1)c2ccc(cc2)N
CACTVS 3.370	Nc1ccc(cc1)n2cccc2
ACDLabs 12.01	c1(ccc(cc1)n2cccc2)N

Name:

4-(1H-pyrrol-1-yl)aniline

ZINC:

ZINC000000159039

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).