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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00790854

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
FL2FLURBIPROFEN METHYL ESTERA,B1HT50.72
4PH4-methyl-L-phenylalanineB,C3BV90.7
BIF(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACIDG,M,P,S1YYL0.72
BIF(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACIDG,M,P,S2I5Y0.72
SBZ[4-(1,3,2-DIOXABOROLAN-2-YLOXY)METHYL]BENZAMIDINEA1S850.73
MPQN-METHYL-ALPHA-PHENYL-GLYCINED1D6E0.72
APMM-AMIDINOPHENYL-3-ALANINEE1PPH0.78
APHP-AMIDINOPHENYL-3-ALANINEE,I1PPC0.79
APHP-AMIDINOPHENYL-3-ALANINEH1ETS0.79
APHP-AMIDINOPHENYL-3-ALANINEH1ETT0.79
APHP-AMIDINOPHENYL-3-ALANINEI1QUR0.79
RPRA1F0U0.72
RPRA1EZQ0.72
1PAPHENYLMETHYLACETIC ACID ALANINEI1BHF0.72
0A9methyl L-phenylalaninateA1AY20.7
0A9methyl L-phenylalaninateI5ER10.7
0A9methyl L-phenylalaninateI,P1HDT0.7
PG9D-PHENYLGLYCINEA,B,G,H10GS0.75
PG9D-PHENYLGLYCINEA,B,C,D2B4K0.75
DFADIPHENYLACETIC ACIDA,B,C1GMY0.71
BNNACETYL-P-AMIDINOPHENYLALANINE2,3,48KME0.73
BNNACETYL-P-AMIDINOPHENYLALANINEH,I,J7KME0.73
BBA2,7-BIS-(4-AMIDINOBENZYLIDENE)-
CYCLOHEPTAN-1-ONE
A,B1A5H0.79
BBA2,7-BIS-(4-AMIDINOBENZYLIDENE)-
CYCLOHEPTAN-1-ONE
T1V2N0.79
IN4+/-METHYL 4-(AMINOIMINOMETHYL)-
BETA-[3- INH (AMINOIMINO)PHENYL]BENZENE PENTANOATE
A1AZ80.88
4BZ4-(HYDROXYMETHYL)BENZAMIDINEA1S6H0.71
FLPFLURBIPROFENA,B,C,D3PGH0.71
FLPFLURBIPROFENA,B1CQE0.71
FLPFLURBIPROFENA,B1EQH0.71
FLPFLURBIPROFENA,B2AYL0.71
FLPFLURBIPROFENA1DVT0.71
FLPFLURBIPROFENA1R9O0.71
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY50.71
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY80.71
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY90.71
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XXZ0.71
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY40.71
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY60.71
BFLA,B1Q4G0.72
ZAB(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B2H3S0.71
ZAB(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B,C,D2H4B0.71
IBPIBUPROFENA3FKX0.71
IBPIBUPROFENA,B2BXG0.71
IBPIBUPROFENA,B1EQG0.71
IBPIBUPROFENA,B,C2WD90.71
IBPIBUPROFENA2PWS0.71
APAAMIDO PHENYL PYRUVIC ACIDH,I1AHT0.83
APAAMIDO PHENYL PYRUVIC ACIDA,B,C,D1A0L0.83
APAAMIDO PHENYL PYRUVIC ACIDA1TPP0.83
EAB(3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B2H3T0.71