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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

BioLiP

PDB CCD ID: Y00
Number of entries in BioLiP: 7
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:
SoftwareSMILES
CACTVS 3.352C[CH](CCc1ccc(O)cc1)NCCc2ccc(O)c(O)c2
OpenEye OEToolkits 1.6.1CC(CCc1ccc(cc1)O)NCCc2ccc(c(c2)O)O
CACTVS 3.352C[C@H](CCc1ccc(O)cc1)NCCc2ccc(O)c(O)c2
OpenEye OEToolkits 1.6.1C[C@H](CCc1ccc(cc1)O)NCCc2ccc(c(c2)O)O
Name:DOBUTAMINE
ZINC: ZINC000000003911

Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).
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