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BioLiP Library

PDB CCD ID: A1G
Number of entries in BioLiP: 0
Chemical formula: C12 H19 N O2
InChI: InChI=1S/C12H19NO2/c13-10(11(14)15)12-4-7-1-8(5-12)3-9(2-7)6-12/h7-10H,1-6,13H2,(H,14,15)/t7-,8+,9-,10-,12-/m1/s1
InChIKey: NJRFVURYVWPLKB-VEOFNUSFSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.4C1C2CC3CC1CC(C2)(C3)[C@@H](C(=O)O)N
CACTVS 3.385N[CH](C(O)=O)C12CC3CC(CC(C3)C1)C2
OpenEye OEToolkits 2.0.4C1C2CC3CC1CC(C2)(C3)C(C(=O)O)N
CACTVS 3.385N[C@H](C(O)=O)C12CC3CC(CC(C3)C1)C2
ACDLabs 12.01O=C(O)C(C13CC2CC(C1)CC(C2)C3)N
Name:(2S)-amino[(3R,5R,7R)-tricyclo[3.3.1.1~3,7~]decan-1-yl]acetic acid
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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