BioLiP

PDB

BioLiP

PDB CCD ID:

GEQ

Number of entries in BioLiP:

Chemical formula:

C26 H23 N3 O

InChI:

InChI=1S/C26H23N3O/c30-26(19-9-10-24-18(17-19)11-12-27-24)29-15-13-28(14-16-29)25-22-7-3-1-5-20(22)21-6-2-4-8-23(21)25/h1-12,17,25,27H,13-16H2

InChIKey:

YYMZSGIXLQPFAC-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.341	O=C(N1CCN(CC1)C2c3ccccc3c4ccccc24)c5ccc6[nH]ccc6c5
ACDLabs 10.04	O=C(N4CCN(C3c1c(cccc1)c2ccccc23)CC4)c6ccc5nccc5c6
OpenEye OEToolkits 1.5.0	c1ccc2c(c1)-c3ccccc3C2N4CCN(CC4)C(=O)c5ccc6c(c5)cc[nH]6

Name:

5-{[4-(9H-FLUOREN-9-YL)PIPERAZIN-1-YL]CARBONYL}-1H-INDOLE;
GENZ-10850

ChEMBL:

CHEMBL216579

DrugBank:

DB04289

ZINC:

ZINC000021289745

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).