BioLiP

PDB

BioLiP

PDB CCD ID:

OPB

Number of entries in BioLiP:

Chemical formula:

C19 H20 N2 O3

InChI:

InChI=1S/C19H20N2O3/c1-2-3-9-17-18(23)20(14-7-5-4-6-8-14)21(19(17)24)15-10-12-16(22)13-11-15/h4-8,10-13,17,22H,2-3,9H2,1H3/t17-/m0/s1

InChIKey:

HFHZKZSRXITVMK-KRWDZBQOSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CCCCC1C(=O)N(N(C1=O)c2ccc(cc2)O)c3ccccc3
OpenEye OEToolkits 1.5.0	CCCC[C@H]1C(=O)N(N(C1=O)c2ccc(cc2)O)c3ccccc3
CACTVS 3.341	CCCC[C@H]1C(=O)N(N(C1=O)c2ccc(O)cc2)c3ccccc3
CACTVS 3.341	CCCC[CH]1C(=O)N(N(C1=O)c2ccc(O)cc2)c3ccccc3
ACDLabs 10.04	O=C2N(c1ccc(O)cc1)N(C(=O)C2CCCC)c3ccccc3

Name:

4-BUTYL-1-(4-HYDROXYPHENYL)-2-PHENYLPYRAZOLIDINE-3,5-DIONE;
OXYPHENBUTAZONE

ChEMBL:

CHEMBL1235001

ZINC:

ZINC000001606505

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).