BioLiP

PDB

BioLiP

PDB CCD ID:

KWE

Number of entries in BioLiP:

Chemical formula:

C28 H28 N2 O2

InChI:

InChI=1S/C28H28N2O2/c31-27-25(20-23-15-6-2-7-16-23)26(28(32)30(27)21-24-17-8-3-9-18-24)29-19-11-10-14-22-12-4-1-5-13-22/h1-9,12-13,15-18,29H,10-11,14,19-21H2

InChIKey:

QPFLANLQMKUFTC-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	O=C1N(Cc2ccccc2)C(=O)C(=C1Cc3ccccc3)NCCCCc4ccccc4
OpenEye OEToolkits 2.0.7	c1ccc(cc1)CCCCNC2=C(C(=O)N(C2=O)Cc3ccccc3)Cc4ccccc4

Name:

3-(4-phenylbutylamino)-1,4-bis(phenylmethyl)pyrrole-2,5-dione

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).