BioLiP

PDB

BioLiP

PDB CCD ID:

S52

Number of entries in BioLiP:

Chemical formula:

C25 H23 N3 O2

InChI:

InChI=1S/C25H23N3O2/c29-24(27-17-15-26-16-18-27)23-21-13-7-8-14-22(21)28(19-9-3-1-4-10-19)25(23)30-20-11-5-2-6-12-20/h1-14,26H,15-18H2

InChIKey:

PAQQZWUEZAUGRI-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	c1ccc(cc1)n2c3ccccc3c(c2Oc4ccccc4)C(=O)N5CCNCC5
ACDLabs 12.01	O=C(c4c1ccccc1n(c2ccccc2)c4Oc3ccccc3)N5CCNCC5
CACTVS 3.370	O=C(N1CCNCC1)c2c(Oc3ccccc3)n(c4ccccc4)c5ccccc25

Name:

2-phenoxy-1-phenyl-3-(piperazin-1-ylcarbonyl)-1H-indole;
(2-Phenoxy-1-phenyl-1H-indol-3-yl)-piperazin-1-yl-methanone

ChEMBL:

CHEMBL1235803

ZINC:

ZINC000058655517

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).