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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03854436

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
3AB3-aminobenzamideA,B,C,D3GOY0.72
NP2N-(3-AMINOPROPYL)-2-NITROBENZENAMINEA1WUM0.73
3NT3-NITROTOLUENEA,B2BMR0.92
3NT3-NITROTOLUENEA,B2HMO0.92
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
U125-IMINO-4-(3-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG20.72
PNDP-NITROPHENYLHYDRAZINEA,G1JMZ0.79
9AP9-AMINOPHENANTHRENEA1EGY0.7
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.78
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.92
PNZP-NITRO-BENZYLAMINEA,B2C700.92
ANLANILINEA2OV40.74
ANLANILINEA1AEE0.74
ANLANILINEA1PPA0.74
ANLANILINEA1HJ90.74
SNO(S)-PARA-NITROSTYRENE OXIDEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1ZO80.71
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.8
NID4-NITRO-INDEN-1-ONEA,B1DOH0.73
ISOPARA-ISOPROPYLANILINEA1BMA0.78
ISOPARA-ISOPROPYLANILINEA,B1ELC0.78
ISOPARA-ISOPROPYLANILINEA,B1ELB0.78
ISOPARA-ISOPROPYLANILINEA,B1ELA0.78
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.75
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.77
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.77
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.77
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.77
PBZP-AMINO BENZAMIDINEA,B2BDG0.75
PBZP-AMINO BENZAMIDINEA1RFN0.75
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.75
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.75
PBZP-AMINO BENZAMIDINEA1FIZ0.75
PBZP-AMINO BENZAMIDINEA1FIW0.75
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.75
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D1PX00.72
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D2ZHM0.72
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A2ZHN0.72
HNT[(3R)-7-NITRO-1,2,3,4-TETRAHYDROISOQUINOLIN-
3-YL]METHANOL
A,B2G700.71
HFTHYDROXYFLUTAMIDEA2AX60.73
2591-(methylsulfanyl)-4-nitrobenzeneX2RAZ0.73
U195-IMINO-4-(2-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG50.7
RNO(R)-PARA-NITROSTYRENE OXIDEA,B,C,D1ZMT0.71
DOF(S)-2-(4-NITROBENZYL)-1,4,7,10-
TETRAAZACYCLODODECANE-N,N',N'',N'''-
TETRAACETATE
A,B,C,D1NC40.72
ANCANTHRACEN-1-YLAMINEA,B1GT10.71
ANCANTHRACEN-1-YLAMINEA,B1HN20.71
NBENITROSOBENZENEA1LH70.78
NBENITROSOBENZENEA2LH70.78
NBENITROSOBENZENEA2NSS0.78
NINDINITROPHENYLENEA1RSM0.81
NINDINITROPHENYLENEA1GVY0.81
NINDINITROPHENYLENEA1GW10.81
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.71
NBZNITROBENZENEA,B2BMQ0.84
NBZNITROBENZENEA,B3BGU0.84
PRY2-PROPYL-ANILINEA1OWY0.81
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.82
XYD2,5-DIMETHYLANILINEA1L4L0.82
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.74
1AN2-FLUOROANILINEA1LGW0.71
PNCPARA-NITROBENZYL GLUTARYL GLYCINIC ACIDL1YEF0.71
34A3,4-DIMETHYLANILINEA1L4K0.8
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.71
2CM2-CHLORO-6-METHYL-ANILINEA1OVH0.71
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.87
PPNPARA-NITROPHENYLALANINEI1YTJ0.75
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.79
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.82
TNL2,4,6-TRINITROTOLUENEA1GVR0.85
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.78
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.78
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.73
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