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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02304438

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
3NT3-NITROTOLUENEA,B2BMR0.74
3NT3-NITROTOLUENEA,B2HMO0.74
2CM2-CHLORO-6-METHYL-ANILINEA1OVH0.77
PRA3-PHENYLPROPYLAMINEA1TNK0.71
PRA3-PHENYLPROPYLAMINEM1UTL0.71
TNL2,4,6-TRINITROTOLUENEA1GVR0.71
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.89
XYD2,5-DIMETHYLANILINEA1L4L0.89
PBN4-PHENYLBUTYLAMINEA1TNI0.71
PBN4-PHENYLBUTYLAMINEA1UTP0.71
N2M5-AMINO-NAPHTALENE-2-MONOSULFONATEC,D1HKN0.75
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.77
ANCANTHRACEN-1-YLAMINEA,B1GT10.86
ANCANTHRACEN-1-YLAMINEA,B1HN20.86
DR15-METHYL-5H-INDOLO[3,2-B]QUINOLINEA1K9G0.71
PBZP-AMINO BENZAMIDINEA,B2BDG0.78
PBZP-AMINO BENZAMIDINEA1RFN0.78
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.78
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.78
PBZP-AMINO BENZAMIDINEA1FIZ0.78
PBZP-AMINO BENZAMIDINEA1FIW0.78
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.78
5AN3,5-DIFLUOROANILINEA1LGX0.74
BRNBERENILA,B268D0.76
BRNBERENILA,B1D630.76
BRNBERENILA,D,E2GBY0.76
BRNBERENILA2DBE0.76
BRNBERENILA2GVR0.76
ANLANILINEA2OV40.78
ANLANILINEA1AEE0.78
ANLANILINEA1PPA0.78
ANLANILINEA1HJ90.78
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.84
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.7
EBW4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-
3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-
2-ENYLBENZENAMINIUM
A1E3Q0.7
1MRN-METHYLANILINEX2OTZ0.72
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.73
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.74
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.74
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.74
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.74
IXX3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-
N,N-DIMETHYLPROPAN-1-AMINE
A2Q720.76
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.73
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.73
NYLN-ALLYL-ANILINEA1OVK0.71
OCHQUINOLIN-2(1H)-ONEA,B,C,D,E,F1Z030.71
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.72
PEA2-PHENYLETHYLAMINEA1TNJ0.72
PEA2-PHENYLETHYLAMINED,H2HKM0.72
PEA2-PHENYLETHYLAMINEA1UTO0.72
PEA2-PHENYLETHYLAMINEA,B1D6Y0.72
PEA2-PHENYLETHYLAMINEA,B1D6Z0.72
PEA2-PHENYLETHYLAMINEA,B1D6U0.72
PEA2-PHENYLETHYLAMINEA1UTM0.72
9AP9-AMINOPHENANTHRENEA1EGY0.85
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.83
PHZ1-PHENYLHYDRAZINEA2E2T0.73
PHZ1-PHENYLHYDRAZINED,H2AGL0.73
2631-(azidomethyl)-3-methylbenzeneX2RB20.72
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QJU0.78
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QB40.78
PRY2-PROPYL-ANILINEA1OWY0.93
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.73
PNZP-NITRO-BENZYLAMINEA,B2C700.73
SOAISATOIC ANHYDRIDEA1BIO0.71
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.87
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.73
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.73
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.74
U125-IMINO-4-(3-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG20.71
MGRMALACHITE GREENA,B3BQZ0.74
MGRMALACHITE GREENA1Q8N0.74
MGRMALACHITE GREENA,B3BR00.74
MGRMALACHITE GREENA,D,E3BTL0.74
MGRMALACHITE GREENA,B,D,E3BTC0.74
MGRMALACHITE GREENA,B,D,E1JUP0.74
TFMS-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREAA,B1K2U0.71
IDMINDOLINEA,B3CEP0.75
IDMINDOLINEA1AEK0.75
NBENITROSOBENZENEA1LH70.7
NBENITROSOBENZENEA2LH70.7
NBENITROSOBENZENEA2NSS0.7
SBN2-AMINO-6-(3,5-DIMETHYLPHENYL)SULFONYLBENZONITRILEA1JLQ0.72
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.8
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.82
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.82
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.82
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.82
1AN2-FLUOROANILINEA1LGW0.76
3AB3-aminobenzamideA,B,C,D3GOY0.71
U195-IMINO-4-(2-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG50.72
34A3,4-DIMETHYLANILINEA1L4K0.9
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.72
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.71
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.74
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.74
5NS5-aminonaphthalene-1-sulfonic acidA,B3CFT0.75
CVICRYSTAL VIOLETA,B,D,E1JTX0.74
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.83
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.77
BSU1,3-DIPHENYLUREAA3E850.7
BSU1,3-DIPHENYLUREAA2ZJF0.7
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.77
ABNBENZYLAMINED,H2HXC0.72
ABNBENZYLAMINEA,I1A860.72
ABNBENZYLAMINEA1UTN0.72
ABNBENZYLAMINEA1N6X0.72
ABNBENZYLAMINEA2BZA0.72
ABNBENZYLAMINEA2EUS0.72
ABNBENZYLAMINEA1N6Y0.72
ABNBENZYLAMINEA1UTJ0.72
271N-methyl-1-phenylmethanamineX2RBT0.7
ISOPARA-ISOPROPYLANILINEA1BMA0.94
ISOPARA-ISOPROPYLANILINEA,B1ELC0.94
ISOPARA-ISOPROPYLANILINEA,B1ELB0.94
ISOPARA-ISOPROPYLANILINEA,B1ELA0.94
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.79
GVQ(2R)-2-(4-CHLOROPHENYL)-2-PHENYLETHANAMINEA2UW80.71