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BioLiP

PDB CCD ID: GKU
Number of entries in BioLiP: 4
Chemical formula: C10 H15 N O
InChI: InChI=1S/C10H15NO/c1-8(11-2)7-9-3-5-10(12)6-4-9/h3-6,8,11-12H,7H2,1-2H3/t8-/m1/s1
InChIKey: SBUQZKJEOOQSBV-MRVPVSSYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CN[C@H](C)Cc1ccc(O)cc1
OpenEye OEToolkits 2.0.7C[C@H](Cc1ccc(cc1)O)NC
OpenEye OEToolkits 2.0.7CC(Cc1ccc(cc1)O)NC
CACTVS 3.385CN[CH](C)Cc1ccc(O)cc1
Name:4-[(2R)-2-(methylamino)propyl]phenol
ZINC: ZINC000000394355
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)(download the PDF file).
  • 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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