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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02183914

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TNL2,4,6-TRINITROTOLUENEA1GVR0.76
ANLANILINEA2OV40.77
ANLANILINEA1AEE0.77
ANLANILINEA1PPA0.77
ANLANILINEA1HJ90.77
EBW4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-
3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-
2-ENYLBENZENAMINIUM
A1E3Q0.73
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.77
PNZP-NITRO-BENZYLAMINEA,B2C700.77
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.81
DR15-METHYL-5H-INDOLO[3,2-B]QUINOLINEA1K9G0.71
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QJU0.73
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QB40.73
ANCANTHRACEN-1-YLAMINEA,B1GT10.77
ANCANTHRACEN-1-YLAMINEA,B1HN20.77
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.72
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.74
9AP9-AMINOPHENANTHRENEA1EGY0.78
TPM2-(4-AMINOBENZYLAMINO)-3,4,5,6-
TETRAHYDROPYRIDINIUM
J,K,L1F3D0.7
TFMS-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREAA,B1K2U0.75
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.84
2631-(azidomethyl)-3-methylbenzeneX2RB20.78
ISOPARA-ISOPROPYLANILINEA1BMA0.86
ISOPARA-ISOPROPYLANILINEA,B1ELC0.86
ISOPARA-ISOPROPYLANILINEA,B1ELB0.86
ISOPARA-ISOPROPYLANILINEA,B1ELA0.86
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.73
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.73
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.86
XYD2,5-DIMETHYLANILINEA1L4L0.86
1AN2-FLUOROANILINEA1LGW0.74
34A3,4-DIMETHYLANILINEA1L4K0.86
5AN3,5-DIFLUOROANILINEA1LGX0.72
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.75
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.75
PHZ1-PHENYLHYDRAZINEA2E2T0.73
PHZ1-PHENYLHYDRAZINED,H2AGL0.73
U125-IMINO-4-(3-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG20.74
2CM2-CHLORO-6-METHYL-ANILINEA1OVH0.75
BRNBERENILA,B268D0.8
BRNBERENILA,B1D630.8
BRNBERENILA,D,E2GBY0.8
BRNBERENILA2DBE0.8
BRNBERENILA2GVR0.8
1MRN-METHYLANILINEX2OTZ0.7
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.78
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.71
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.84
PRY2-PROPYL-ANILINEA1OWY0.87
UFO1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-
6-yl)methanamine
A,B,D3GQT0.73
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.83
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
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.75
3AB3-aminobenzamideA,B,C,D3GOY0.71
CVICRYSTAL VIOLETA,B,D,E1JTX0.78
IDMINDOLINEA,B3CEP0.7
IDMINDOLINEA1AEK0.7
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.72
BSU1,3-DIPHENYLUREAA3E850.7
BSU1,3-DIPHENYLUREAA2ZJF0.7
NBENITROSOBENZENEA1LH70.75
NBENITROSOBENZENEA2LH70.75
NBENITROSOBENZENEA2NSS0.75
3NT3-NITROTOLUENEA,B2BMR0.79
3NT3-NITROTOLUENEA,B2HMO0.79
ABNBENZYLAMINED,H2HXC0.72
ABNBENZYLAMINEA,I1A860.72
ABNBENZYLAMINEA1UTN0.72
ABNBENZYLAMINEA1N6X0.72
ABNBENZYLAMINEA2BZA0.72
ABNBENZYLAMINEA2EUS0.72
ABNBENZYLAMINEA1N6Y0.72
ABNBENZYLAMINEA1UTJ0.72
NBZNITROBENZENEA,B2BMQ0.7
NBZNITROBENZENEA,B3BGU0.7
271N-methyl-1-phenylmethanamineX2RBT0.7
IXX3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-
N,N-DIMETHYLPROPAN-1-AMINE
A2Q720.77
MGRMALACHITE GREENA,B3BQZ0.78
MGRMALACHITE GREENA1Q8N0.78
MGRMALACHITE GREENA,B3BR00.78
MGRMALACHITE GREENA,D,E3BTL0.78
MGRMALACHITE GREENA,B,D,E3BTC0.78
MGRMALACHITE GREENA,B,D,E1JUP0.78
PBZP-AMINO BENZAMIDINEA,B2BDG0.8
PBZP-AMINO BENZAMIDINEA1RFN0.8
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.8
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.8
PBZP-AMINO BENZAMIDINEA1FIZ0.8
PBZP-AMINO BENZAMIDINEA1FIW0.8
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.8
U195-IMINO-4-(2-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG50.74