BioLiP

PDB

BioLiP

PDB CCD ID:

Y00

Number of entries in BioLiP:

Chemical formula:

C18 H23 N O3

InChI:

InChI=1S/C18H23NO3/c1-13(2-3-14-4-7-16(20)8-5-14)19-11-10-15-6-9-17(21)18(22)12-15/h4-9,12-13,19-22H,2-3,10-11H2,1H3/t13-/m1/s1

InChIKey:

JRWZLRBJNMZMFE-CYBMUJFWSA-N

SMILES:

Software	SMILES
CACTVS 3.352	C[CH](CCc1ccc(O)cc1)NCCc2ccc(O)c(O)c2
OpenEye OEToolkits 1.6.1	CC(CCc1ccc(cc1)O)NCCc2ccc(c(c2)O)O
CACTVS 3.352	C[C@H](CCc1ccc(O)cc1)NCCc2ccc(O)c(O)c2
OpenEye OEToolkits 1.6.1	C[C@H](CCc1ccc(cc1)O)NCCc2ccc(c(c2)O)O

Name:

DOBUTAMINE

ZINC:

ZINC000000003911

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).