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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02178455

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.73
TNL2,4,6-TRINITROTOLUENEA1GVR0.71
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.77
5AN3,5-DIFLUOROANILINEA1LGX0.74
SBN2-AMINO-6-(3,5-DIMETHYLPHENYL)SULFONYLBENZONITRILEA1JLQ0.71
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.79
5BM(2Z)-bis{amino[(2-aminophenyl)sulfanyl]methylidene}butanedinitrileA3EQH0.71
3NT3-NITROTOLUENEA,B2BMR0.73
3NT3-NITROTOLUENEA,B2HMO0.73
ANLANILINEA2OV40.78
ANLANILINEA1AEE0.78
ANLANILINEA1PPA0.78
ANLANILINEA1HJ90.78
U125-IMINO-4-(3-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG20.72
TPM2-(4-AMINOBENZYLAMINO)-3,4,5,6-
TETRAHYDROPYRIDINIUM
J,K,L1F3D0.7
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
PHZ1-PHENYLHYDRAZINEA2E2T0.74
PHZ1-PHENYLHYDRAZINED,H2AGL0.74
3AB3-aminobenzamideA,B,C,D3GOY0.73
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
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.75
PNZP-NITRO-BENZYLAMINEA,B2C700.75
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.71
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.85
2CM2-CHLORO-6-METHYL-ANILINEA1OVH0.75
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.78
1MRN-METHYLANILINEX2OTZ0.7
SOAISATOIC ANHYDRIDEA1BIO0.71
CVICRYSTAL VIOLETA,B,D,E1JTX0.72
34A3,4-DIMETHYLANILINEA1L4K0.83
TFMS-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREAA,B1K2U0.71
NBENITROSOBENZENEA1LH70.7
NBENITROSOBENZENEA2LH70.7
NBENITROSOBENZENEA2NSS0.7
PRY2-PROPYL-ANILINEA1OWY0.88
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.8
IXX3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-
N,N-DIMETHYLPROPAN-1-AMINE
A2Q720.75
NIT4-NITROANILINEC,D1RMH0.7
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.7
NIT4-NITROANILINEB1VBS0.7
NIT4-NITROANILINEC1V9T0.7
NIT4-NITROANILINEC,D1VBT0.7
NIT4-NITROANILINEB1LOP0.7
NIT4-NITROANILINEC,D1ZKF0.7
NIT4-NITROANILINEB1PIP0.7
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.82
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.82
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.82
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.82
1AN2-FLUOROANILINEA1LGW0.76
BRNBERENILA,B268D0.78
BRNBERENILA,B1D630.78
BRNBERENILA,D,E2GBY0.78
BRNBERENILA2DBE0.78
BRNBERENILA2GVR0.78
5NS5-aminonaphthalene-1-sulfonic acidA,B3CFT0.72
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.85
ISOPARA-ISOPROPYLANILINEA1BMA0.83
ISOPARA-ISOPROPYLANILINEA,B1ELC0.83
ISOPARA-ISOPROPYLANILINEA,B1ELB0.83
ISOPARA-ISOPROPYLANILINEA,B1ELA0.83
IDMINDOLINEA,B3CEP0.74
IDMINDOLINEA1AEK0.74
ANCANTHRACEN-1-YLAMINEA,B1GT10.8
ANCANTHRACEN-1-YLAMINEA,B1HN20.8
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.87
XYD2,5-DIMETHYLANILINEA1L4L0.87
264(phenylamino)acetonitrileA2RBN0.7
MGRMALACHITE GREENA,B3BQZ0.72
MGRMALACHITE GREENA1Q8N0.72
MGRMALACHITE GREENA,B3BR00.72
MGRMALACHITE GREENA,D,E3BTL0.72
MGRMALACHITE GREENA,B,D,E3BTC0.72
MGRMALACHITE GREENA,B,D,E1JUP0.72
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.77
ABNBENZYLAMINED,H2HXC0.72
ABNBENZYLAMINEA,I1A860.72
ABNBENZYLAMINEA1UTN0.72
ABNBENZYLAMINEA1N6X0.72
ABNBENZYLAMINEA2BZA0.72
ABNBENZYLAMINEA2EUS0.72
ABNBENZYLAMINEA1N6Y0.72
ABNBENZYLAMINEA1UTJ0.72
9AP9-AMINOPHENANTHRENEA1EGY0.8
BSU1,3-DIPHENYLUREAA3E850.72
BSU1,3-DIPHENYLUREAA2ZJF0.72
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QJU0.76
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QB40.76
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