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BioLiP

PDB CCD ID: AHT
Number of entries in BioLiP: 0
Chemical formula: C11 H18 N2 O2
InChI: InChI=1S/C11H18N2O2/c12-9(3-6-11(13)15)7-8-1-4-10(14)5-2-8/h1-2,4-5,9,11,14-15H,3,6-7,12-13H2/t9-,11+/m1/s1
InChIKey: VTBBVHAOBBELOH-KOLCDFICSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370N[CH](O)CC[CH](N)Cc1ccc(O)cc1
CACTVS 3.370N[C@@H](O)CC[C@@H](N)Cc1ccc(O)cc1
ACDLabs 12.01Oc1ccc(cc1)CC(N)CCC(O)N
OpenEye OEToolkits 1.7.0c1cc(ccc1CC(CCC(N)O)N)O
OpenEye OEToolkits 1.7.0c1cc(ccc1C[C@@H](CCC(N)O)N)O
Name:4-(2,5-DIAMINO-5-HYDROXY-PENTYL)-PHENOL
DrugBank: DB07353
ZINC: ZINC000034930550
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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