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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00013159

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
1LPTRANYLCYPROMINEA,B1OJB0.81
DMW2,3-DIMETHYL-1,4-NAPHTHOQUINONEA,B,C,D,E,F2BS40.7
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.72
3PL3-PHENYLPROPANALE1Y3G0.79
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.71
AC01-PHENYLETHANONEA1ZK10.75
AC01-PHENYLETHANONEA1ZK40.75
5PV5-PHENYLVALERIC ACIDA,B2AY90.73
BIP2-BENZYL-3-IODOPROPANOIC ACIDA,B,C,D1BAV0.72
HY1PHENYLACETALDEHYDED,H2I0S0.78
HY1PHENYLACETALDEHYDEA,B1D6Y0.78
HY1PHENYLACETALDEHYDEA,B1D6Z0.78
HY1PHENYLACETALDEHYDED,H2OK40.78
HY1PHENYLACETALDEHYDEA,B1D6U0.78
PYLPHENYLETHANEC1B070.71
PYLPHENYLETHANEA,B2VRM0.71
PYLPHENYLETHANEA1NHB0.71
BDBA,B1KE30.7
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.72
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.72
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.72
DPHDEAMINO-METHYL-PHENYLALANINEA1OS00.74
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJI0.74
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJJ0.74
DPHDEAMINO-METHYL-PHENYLALANINEA,B2VS20.74
DPHDEAMINO-METHYL-PHENYLALANINEA,B1OD10.74
DPHDEAMINO-METHYL-PHENYLALANINEE1EPR0.74
N4BN-BUTYLBENZENEA186L0.71
DFADIPHENYLACETIC ACIDA,B,C1GMY0.71
KPV5-PHENYL-2-KETO-VALERIC ACIDA,B2Q5Q0.7
HCIHYDROCINNAMIC ACIDA,B1BXG0.72
HCIHYDROCINNAMIC ACIDA,B1TOG0.72
HCIHYDROCINNAMIC ACIDA,B1V2F0.72
HCIHYDROCINNAMIC ACIDA,B1AHX0.72
HCIHYDROCINNAMIC ACIDA1TOI0.72
HCIHYDROCINNAMIC ACIDA,B1AY80.72
HCIHYDROCINNAMIC ACIDA1TOJ0.72
I4BISOBUTYLBENZENEA184L0.73
PCSPHENYLALANYLMETHYLCHLORIDEB,D1DLK0.71
PCSPHENYLALANYLMETHYLCHLORIDEA1XQX0.71
BZQDIPHENYLMETHANONEA,B1GT50.74
BZQDIPHENYLMETHANONEA,B1DZP0.74
BP4BIPHENYL-4-YL-ACETALDEHYDEA,B,E,F,G,H1MHW0.77
VK3MENADIONEA1TUV0.7
VK3MENADIONEA,B2QR20.7
OXEORTHO-XYLENEA,B3E0X0.71
OXEORTHO-XYLENEA188L0.71
BZSL-BENZYLSUCCINIC ACIDA1CBX0.7
BZSL-BENZYLSUCCINIC ACIDA1HYT0.7
BZSL-BENZYLSUCCINIC ACIDA,B1WHT0.7
IBPIBUPROFENA3FKX0.71
IBPIBUPROFENA,B2BXG0.71
IBPIBUPROFENA,B1EQG0.71
IBPIBUPROFENA,B,C2WD90.71
IBPIBUPROFENA2PWS0.71
FPRPROPYLBENZENEC1RHK0.71
HBXbenzaldehydeA,B3GDN0.7
CLT4-PHENYL-BUTANOIC ACIDA1THL0.71
CLT4-PHENYL-BUTANOIC ACIDA,B2AY70.71
CLT4-PHENYL-BUTANOIC ACIDE,I1TMN0.71
LEG1-(4-HEXYLPHENYL)PROP-2-EN-1-ONEA,B2PIN0.74