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BioLiP

PDB CCD ID: T9G
Number of entries in BioLiP: 3
Chemical formula: C9 H13 N O
InChI: InChI=1S/C9H13NO/c1-2-8(10)7-5-3-4-6-9(7)11/h3-6,8,11H,2,10H2,1H3/t8-/m1/s1
InChIKey: SJYRIEHMQRIBEN-MRVPVSSYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC[C@H](c1ccccc1O)N
CACTVS 3.385CC[C@@H](N)c1ccccc1O
ACDLabs 12.01c1cccc(O)c1C(N)CC
OpenEye OEToolkits 2.0.7CCC(c1ccccc1O)N
CACTVS 3.385CC[CH](N)c1ccccc1O
Name:2-[(1R)-1-aminopropyl]phenol
ZINC: ZINC000022142786
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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