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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03471440

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.7
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.7
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.84
PNCPARA-NITROBENZYL GLUTARYL GLYCINIC ACIDL1YEF0.72
PPNPARA-NITROPHENYLALANINEI1YTJ0.76
U125-IMINO-4-(3-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG20.7
NP2N-(3-AMINOPROPYL)-2-NITROBENZENAMINEA1WUM0.73
TNL2,4,6-TRINITROTOLUENEA1GVR0.87
PBZP-AMINO BENZAMIDINEA,B2BDG0.77
PBZP-AMINO BENZAMIDINEA1RFN0.77
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.77
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.77
PBZP-AMINO BENZAMIDINEA1FIZ0.77
PBZP-AMINO BENZAMIDINEA1FIW0.77
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.77
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.78
PHZ1-PHENYLHYDRAZINEA2E2T0.7
PHZ1-PHENYLHYDRAZINED,H2AGL0.7
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V970.71
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V980.71
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V960.71
BRNBERENILA,B268D0.71
BRNBERENILA,B1D630.71
BRNBERENILA,D,E2GBY0.71
BRNBERENILA2DBE0.71
BRNBERENILA2GVR0.71
3AB3-aminobenzamideA,B,C,D3GOY0.7
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D1PX00.74
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D2ZHM0.74
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A2ZHN0.74
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.71
PNDP-NITROPHENYLHYDRAZINEA,G1JMZ0.79
9AP9-AMINOPHENANTHRENEA1EGY0.7
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.73
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.78
AAHH1KEL0.71
AAHB,H1FL60.71
ANLANILINEA2OV40.74
ANLANILINEA1AEE0.74
ANLANILINEA1PPA0.74
ANLANILINEA1HJ90.74
RNO(R)-PARA-NITROSTYRENE OXIDEA,B,C,D1ZMT0.73
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.73
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.89
HNT[(3R)-7-NITRO-1,2,3,4-TETRAHYDROISOQUINOLIN-
3-YL]METHANOL
A,B2G700.71
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.82
2591-(methylsulfanyl)-4-nitrobenzeneX2RAZ0.73
U195-IMINO-4-(2-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG50.7
SNO(S)-PARA-NITROSTYRENE OXIDEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1ZO80.73
NID4-NITRO-INDEN-1-ONEA,B1DOH0.71
ISOPARA-ISOPROPYLANILINEA1BMA0.8
ISOPARA-ISOPROPYLANILINEA,B1ELC0.8
ISOPARA-ISOPROPYLANILINEA,B1ELB0.8
ISOPARA-ISOPROPYLANILINEA,B1ELA0.8
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.8
XYD2,5-DIMETHYLANILINEA1L4L0.8
TFMS-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREAA,B1K2U0.71
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.75
NBENITROSOBENZENEA1LH70.78
NBENITROSOBENZENEA2LH70.78
NBENITROSOBENZENEA2NSS0.78
NINDINITROPHENYLENEA1RSM0.81
NINDINITROPHENYLENEA1GVY0.81
NINDINITROPHENYLENEA1GW10.81
NBZNITROBENZENEA,B2BMQ0.84
NBZNITROBENZENEA,B3BGU0.84
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.94
PNZP-NITRO-BENZYLAMINEA,B2C700.94
PRY2-PROPYL-ANILINEA1OWY0.81
HFTHYDROXYFLUTAMIDEA2AX60.71
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.76
1AN2-FLUOROANILINEA1LGW0.71
3NT3-NITROTOLUENEA,B2BMR0.9
3NT3-NITROTOLUENEA,B2HMO0.9
34A3,4-DIMETHYLANILINEA1L4K0.8
2CM2-CHLORO-6-METHYL-ANILINEA1OVH0.71
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.79
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.78
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.78
DOF(S)-2-(4-NITROBENZYL)-1,4,7,10-
TETRAAZACYCLODODECANE-N,N',N'',N'''-
TETRAACETATE
A,B,C,D1NC40.73
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.8
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.79
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.79
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.79
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.79
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.71
PRQ(3S)-3-amino-3-(2-nitrophenyl)propanoic acidC,F,I,L2VE60.71
NIT4-NITROANILINEC,D1RMH0.85
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.85
NIT4-NITROANILINEB1VBS0.85
NIT4-NITROANILINEC1V9T0.85
NIT4-NITROANILINEC,D1VBT0.85
NIT4-NITROANILINEB1LOP0.85
NIT4-NITROANILINEC,D1ZKF0.85
NIT4-NITROANILINEB1PIP0.85