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BioLiP

PDB CCD ID: OTR
Number of entries in BioLiP: 12
Chemical formula: C8 H11 N O2
InChI: InChI=1S/C8H11NO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,10-11H,5,9H2/t8-/m0/s1
InChIKey: QHGUCRYDKWKLMG-QMMMGPOBSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341NC[CH](O)c1ccc(O)cc1
OpenEye OEToolkits 1.5.0c1cc(ccc1C(CN)O)O
CACTVS 3.341NC[C@H](O)c1ccc(O)cc1
ACDLabs 10.04OC(c1ccc(O)cc1)CN
OpenEye OEToolkits 1.5.0c1cc(ccc1[C@H](CN)O)O
Name:4-(2R-AMINO-1-HYDROXYETHYL)PHENOL;
R-OCTOPAMINE
ChEMBL: CHEMBL1160703
ZINC: ZINC000000388198
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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