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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03241302

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
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.73
3AB3-aminobenzamideA,B,C,D3GOY0.72
5AN3,5-DIFLUOROANILINEA1LGX0.73
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QJU0.74
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QB40.74
ANLANILINEA2OV40.77
ANLANILINEA1AEE0.77
ANLANILINEA1PPA0.77
ANLANILINEA1HJ90.77
ANCANTHRACEN-1-YLAMINEA,B1GT10.78
ANCANTHRACEN-1-YLAMINEA,B1HN20.78
2631-(azidomethyl)-3-methylbenzeneX2RB20.73
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.7
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.72
BRNBERENILA,B268D0.81
BRNBERENILA,B1D630.81
BRNBERENILA,D,E2GBY0.81
BRNBERENILA2DBE0.81
BRNBERENILA2GVR0.81
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.73
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.72
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.72
U125-IMINO-4-(3-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG20.75
2CM2-CHLORO-6-METHYL-ANILINEA1OVH0.74
IDMINDOLINEA,B3CEP0.71
IDMINDOLINEA1AEK0.71
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.71
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.71
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.84
ISOPARA-ISOPROPYLANILINEA1BMA0.86
ISOPARA-ISOPROPYLANILINEA,B1ELC0.86
ISOPARA-ISOPROPYLANILINEA,B1ELB0.86
ISOPARA-ISOPROPYLANILINEA,B1ELA0.86
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.86
XYD2,5-DIMETHYLANILINEA1L4L0.86
BSU1,3-DIPHENYLUREAA3E850.71
BSU1,3-DIPHENYLUREAA2ZJF0.71
ABNBENZYLAMINED,H2HXC0.71
ABNBENZYLAMINEA,I1A860.71
ABNBENZYLAMINEA1UTN0.71
ABNBENZYLAMINEA1N6X0.71
ABNBENZYLAMINEA2BZA0.71
ABNBENZYLAMINEA2EUS0.71
ABNBENZYLAMINEA1N6Y0.71
ABNBENZYLAMINEA1UTJ0.71
PHZ1-PHENYLHYDRAZINEA2E2T0.74
PHZ1-PHENYLHYDRAZINED,H2AGL0.74
34A3,4-DIMETHYLANILINEA1L4K0.86
1AN2-FLUOROANILINEA1LGW0.75
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.76
TFMS-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREAA,B1K2U0.74
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.82
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.9
9AP9-AMINOPHENANTHRENEA1EGY0.79
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.84
PRY2-PROPYL-ANILINEA1OWY0.87
MGRMALACHITE GREENA,B3BQZ0.73
MGRMALACHITE GREENA1Q8N0.73
MGRMALACHITE GREENA,B3BR00.73
MGRMALACHITE GREENA,D,E3BTL0.73
MGRMALACHITE GREENA,B,D,E3BTC0.73
MGRMALACHITE GREENA,B,D,E1JUP0.73
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.76
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.76
PNZP-NITRO-BENZYLAMINEA,B2C700.76
TNL2,4,6-TRINITROTOLUENEA1GVR0.72
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.83
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.83
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.83
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.83
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.71
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.71
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.71
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.71
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.73
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.71
PBZP-AMINO BENZAMIDINEA,B2BDG0.81
PBZP-AMINO BENZAMIDINEA1RFN0.81
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.81
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.81
PBZP-AMINO BENZAMIDINEA1FIZ0.81
PBZP-AMINO BENZAMIDINEA1FIW0.81
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.81
TPM2-(4-AMINOBENZYLAMINO)-3,4,5,6-
TETRAHYDROPYRIDINIUM
J,K,L1F3D0.71
U195-IMINO-4-(2-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG50.75
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.73
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.79
CVICRYSTAL VIOLETA,B,D,E1JTX0.73
IXX3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-
N,N-DIMETHYLPROPAN-1-AMINE
A2Q720.72
UFO1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-
6-yl)methanamine
A,B,D3GQT0.77
1MRN-METHYLANILINEX2OTZ0.71