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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02223839

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
9AP9-AMINOPHENANTHRENEA1EGY0.72
3AB3-aminobenzamideA,B,C,D3GOY0.72
5AN3,5-DIFLUOROANILINEA1LGX0.73
TFMS-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREAA,B1K2U0.7
34A3,4-DIMETHYLANILINEA1L4K0.84
ANLANILINEA2OV40.77
ANLANILINEA1AEE0.77
ANLANILINEA1PPA0.77
ANLANILINEA1HJ90.77
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.82
PHZ1-PHENYLHYDRAZINEA2E2T0.72
PHZ1-PHENYLHYDRAZINED,H2AGL0.72
ISOPARA-ISOPROPYLANILINEA1BMA0.84
ISOPARA-ISOPROPYLANILINEA,B1ELC0.84
ISOPARA-ISOPROPYLANILINEA,B1ELB0.84
ISOPARA-ISOPROPYLANILINEA,B1ELA0.84
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.84
XYD2,5-DIMETHYLANILINEA1L4L0.84
NIT4-NITROANILINEC,D1RMH0.71
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.71
NIT4-NITROANILINEB1VBS0.71
NIT4-NITROANILINEC1V9T0.71
NIT4-NITROANILINEC,D1VBT0.71
NIT4-NITROANILINEB1LOP0.71
NIT4-NITROANILINEC,D1ZKF0.71
NIT4-NITROANILINEB1PIP0.71
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.78
PNZP-NITRO-BENZYLAMINEA,B2C700.78
PMI(2-AMINO-2,3-DIHYDRO-1H-INDEN-2-
YL)PHOSPHONIC ACID
A,B,C,D,E,F,
G,H
2O7E0.76
3NT3-NITROTOLUENEA,B2BMR0.77
3NT3-NITROTOLUENEA,B2HMO0.77
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.74
2CM2-CHLORO-6-METHYL-ANILINEA1OVH0.74
ABNBENZYLAMINED,H2HXC0.71
ABNBENZYLAMINEA,I1A860.71
ABNBENZYLAMINEA1UTN0.71
ABNBENZYLAMINEA1N6X0.71
ABNBENZYLAMINEA2BZA0.71
ABNBENZYLAMINEA2EUS0.71
ABNBENZYLAMINEA1N6Y0.71
ABNBENZYLAMINEA1UTJ0.71
PRY2-PROPYL-ANILINEA1OWY0.85
NHP4-(2-AMINOPHENYLTHIO)-BUTYLPHOSPHONIC ACIDA,B1CX90.74
1AN2-FLUOROANILINEA1LGW0.75
2BFALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACIDA,B,C,D1ND50.72
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.7
PBZP-AMINO BENZAMIDINEA,B2BDG0.79
PBZP-AMINO BENZAMIDINEA1RFN0.79
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.79
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.79
PBZP-AMINO BENZAMIDINEA1FIZ0.79
PBZP-AMINO BENZAMIDINEA1FIW0.79
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.79
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.86
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.87
ANCANTHRACEN-1-YLAMINEA,B1GT10.71
ANCANTHRACEN-1-YLAMINEA,B1HN20.71
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.8
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.84
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.76
NBENITROSOBENZENEA1LH70.72
NBENITROSOBENZENEA2LH70.72
NBENITROSOBENZENEA2NSS0.72
BRNBERENILA,B268D0.7
BRNBERENILA,B1D630.7
BRNBERENILA,D,E2GBY0.7
BRNBERENILA2DBE0.7
BRNBERENILA2GVR0.7
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.71
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.71
B2FPHENYLALANINE BORONIC ACIDA,P1P060.71
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.71
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.71
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.83
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.83
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.83
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.83
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidA1OS00.77
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidE,I4TMN0.77
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidS1CGH0.77
SOAISATOIC ANHYDRIDEA1BIO0.72
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.82
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.82
TNL2,4,6-TRINITROTOLUENEA1GVR0.73
4CM(4-CARBAMIMIDOYLPHENYL)-METHYL-
PHOSPHINIC ACID
A1TX70.75
EOB{1,3-PHENYLENEBIS[IMINO(2-OXOETHANE-
2,1-DIYL)]}BIS(PHOSPHONIC ACID)
A,B,C,D2FZG0.7
1MRN-METHYLANILINEX2OTZ0.71