BioLiP

PDB

BioLiP

PDB CCD ID:

BMK

Number of entries in BioLiP:

Chemical formula:

C16 H15 N

InChI:

InChI=1S/C16H15N/c1-16-13-8-4-2-6-11(13)10-15(17-16)12-7-3-5-9-14(12)16/h2-9,15,17H,10H2,1H3/t15-,16+/m1/s1

InChIKey:

LBOJYSIDWZQNJS-CVEARBPZSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	C[C@@]12c3ccccc3C[C@@H](N1)c4c2cccc4
ACDLabs 12.01	CC23c1c(cccc1)CC(N2)c4ccccc34
OpenEye OEToolkits 2.0.6	CC12c3ccccc3CC(N1)c4c2cccc4
CACTVS 3.385	C[C]12N[CH](Cc3ccccc13)c4ccccc24
CACTVS 3.385	C[C@]12N[C@H](Cc3ccccc13)c4ccccc24

Name:

(5S,10R)-5-methyl-10,11-dihydro-5H-5,10-epiminodibenzo[a,d][7]annulene

ChEMBL:

CHEMBL284237

ZINC:

ZINC000025757829

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).