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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02826026

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.72
PRY2-PROPYL-ANILINEA1OWY0.86
U134-(4-FLUORO-PHENYLAZO)-5-IMINO-
5H-PYRAZOL-3-YLAMINE
A2GG30.7
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.81
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.85
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.72
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.7
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.7
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.7
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.7
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QJU0.75
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QB40.75
9AP9-AMINOPHENANTHRENEA1EGY0.84
EBW4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-
3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-
2-ENYLBENZENAMINIUM
A1E3Q0.7
TFMS-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREAA,B1K2U0.75
2631-(azidomethyl)-3-methylbenzeneX2RB20.7
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.73
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.73
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.78
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.86
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.86
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.86
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.86
5AN3,5-DIFLUOROANILINEA1LGX0.78
N2M5-AMINO-NAPHTALENE-2-MONOSULFONATEC,D1HKN0.72
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.7
PEA2-PHENYLETHYLAMINEA1TNJ0.7
PEA2-PHENYLETHYLAMINED,H2HKM0.7
PEA2-PHENYLETHYLAMINEA1UTO0.7
PEA2-PHENYLETHYLAMINEA,B1D6Y0.7
PEA2-PHENYLETHYLAMINEA,B1D6Z0.7
PEA2-PHENYLETHYLAMINEA,B1D6U0.7
PEA2-PHENYLETHYLAMINEA1UTM0.7
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.75
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.76
PHZ1-PHENYLHYDRAZINEA2E2T0.73
PHZ1-PHENYLHYDRAZINED,H2AGL0.73
U125-IMINO-4-(3-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG20.74
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.74
FBA4-FLUOROBENZYLAMINEA1TNH0.74
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.71
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.87
IXX3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-
N,N-DIMETHYLPROPAN-1-AMINE
A2Q720.73
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.7
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
ISOPARA-ISOPROPYLANILINEA1BMA0.9
ISOPARA-ISOPROPYLANILINEA,B1ELC0.9
ISOPARA-ISOPROPYLANILINEA,B1ELB0.9
ISOPARA-ISOPROPYLANILINEA,B1ELA0.9
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.8
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.76
PNZP-NITRO-BENZYLAMINEA,B2C700.76
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.75
BRNBERENILA,B268D0.78
BRNBERENILA,B1D630.78
BRNBERENILA,D,E2GBY0.78
BRNBERENILA2DBE0.78
BRNBERENILA2GVR0.78
ANLANILINEA2OV40.76
ANLANILINEA1AEE0.76
ANLANILINEA1PPA0.76
ANLANILINEA1HJ90.76
3AB3-aminobenzamideA,B,C,D3GOY0.71
5NS5-aminonaphthalene-1-sulfonic acidA,B3CFT0.72
2CM2-CHLORO-6-METHYL-ANILINEA1OVH0.71
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.83
XYD2,5-DIMETHYLANILINEA1L4L0.83
TPM2-(4-AMINOBENZYLAMINO)-3,4,5,6-
TETRAHYDROPYRIDINIUM
J,K,L1F3D0.71
CVICRYSTAL VIOLETA,B,D,E1JTX0.74
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.7
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.7
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.83
BSU1,3-DIPHENYLUREAA3E850.7
BSU1,3-DIPHENYLUREAA2ZJF0.7
ABNBENZYLAMINED,H2HXC0.7
ABNBENZYLAMINEA,I1A860.7
ABNBENZYLAMINEA1UTN0.7
ABNBENZYLAMINEA1N6X0.7
ABNBENZYLAMINEA2BZA0.7
ABNBENZYLAMINEA2EUS0.7
ABNBENZYLAMINEA1N6Y0.7
ABNBENZYLAMINEA1UTJ0.7
ANCANTHRACEN-1-YLAMINEA,B1GT10.82
ANCANTHRACEN-1-YLAMINEA,B1HN20.82
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
3NT3-NITROTOLUENEA,B2BMR0.71
3NT3-NITROTOLUENEA,B2HMO0.71
U195-IMINO-4-(2-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG50.74
34A3,4-DIMETHYLANILINEA1L4K0.88
IDMINDOLINEA,B3CEP0.72
IDMINDOLINEA1AEK0.72
1AN2-FLUOROANILINEA1LGW0.8