BioLiP

PDB

BioLiP

PDB CCD ID:

RWF

Number of entries in BioLiP:

Chemical formula:

C19 H16 O4

InChI:

InChI=1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3/t15-/m1/s1

InChIKey:

PJVWKTKQMONHTI-OAHLLOKOSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CC(=O)C[C@H](c1ccccc1)C2=C(c3ccccc3OC2=O)O
CACTVS 3.341	CC(=O)C[C@H](c1ccccc1)C2=C(O)c3ccccc3OC2=O
CACTVS 3.341	CC(=O)C[CH](c1ccccc1)C2=C(O)c3ccccc3OC2=O
OpenEye OEToolkits 1.5.0	CC(=O)CC(c1ccccc1)C2=C(c3ccccc3OC2=O)O
ACDLabs 10.04	O=C(C)CC(C1=C(O)c2c(OC1=O)cccc2)c3ccccc3

Name:

R-WARFARIN

ChEMBL:

CHEMBL251073

DrugBank:

DB08496

ZINC:

ZINC000084589076

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).