BioLiP

PDB

BioLiP

PDB CCD ID:

BUW

Number of entries in BioLiP:

Chemical formula:

C19 H24 N2 S

InChI:

InChI=1S/C19H24N2S/c1-4-20(5-2)15(3)14-21-16-10-6-8-12-18(16)22-19-13-9-7-11-17(19)21/h6-13,15H,4-5,14H2,1-3H3/t15-/m1/s1

InChIKey:

CDOZDBSBBXSXLB-OAHLLOKOSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	CCN(CC)C(C)CN1c2ccccc2Sc3c1cccc3
CACTVS 3.385	CCN(CC)[C@H](C)CN1c2ccccc2Sc3ccccc13
OpenEye OEToolkits 2.0.6	CCN(CC)[C@H](C)CN1c2ccccc2Sc3c1cccc3
CACTVS 3.385	CCN(CC)[CH](C)CN1c2ccccc2Sc3ccccc13

Name:

R-ethopropazine

ZINC:

ZINC000000056651

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).