BioLiP

PDB

BioLiP

PDB CCD ID:

A1MA8

Number of entries in BioLiP:

Chemical formula:

C21 H24 N2 O2

InChI:

InChI=1S/C21H24N2O2/c1-13(2)22-9-10-23-20-7-5-16(14(3)24)11-18(20)19-12-17(15(4)25)6-8-21(19)23/h5-8,11-13,22H,9-10H2,1-4H3

InChIKey:

JKCSODVERGVDLT-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC(C)NCCn1c2ccc(cc2c3c1ccc(c3)C(=O)C)C(=O)C
CACTVS 3.385	CC(C)NCCn1c2ccc(cc2c3cc(ccc13)C(C)=O)C(C)=O

Name:

CBL0137;
1-[6-ethanoyl-9-[2-(propan-2-ylamino)ethyl]carbazol-3-yl]ethanone

ChEMBL:

CHEMBL4640631

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).