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BioLiP

PDB CCD ID: 5NL
Number of entries in BioLiP: 1
Chemical formula: C14 H12 N2 O2
InChI: InChI=1S/C14H12N2O2/c17-13-12(15-14(18)16-13)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7,12H,8H2,(H2,15,16,17,18)/t12-/m0/s1
InChIKey: CHRJCAZBQNADBP-LBPRGKRZSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O=C1N[CH](Cc2ccc3ccccc3c2)C(=O)N1
ACDLabs 12.01O=C1NC(=O)C(N1)Cc2ccc3c(c2)cccc3
OpenEye OEToolkits 1.7.6c1ccc2cc(ccc2c1)CC3C(=O)NC(=O)N3
OpenEye OEToolkits 1.7.6c1ccc2cc(ccc2c1)C[C@H]3C(=O)NC(=O)N3
CACTVS 3.385O=C1N[C@@H](Cc2ccc3ccccc3c2)C(=O)N1
Name:5-(2-NAPHTHYLMETHYL)-L-HYDANTOIN
ZINC: ZINC000005777875
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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