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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02196148

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2CM2-CHLORO-6-METHYL-ANILINEA1OVH0.72
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.71
U125-IMINO-4-(3-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG20.7
5NS5-aminonaphthalene-1-sulfonic acidA,B3CFT0.71
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.72
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.72
CVICRYSTAL VIOLETA,B,D,E1JTX0.79
PHZ1-PHENYLHYDRAZINEA2E2T0.72
PHZ1-PHENYLHYDRAZINED,H2AGL0.72
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.82
DR15-METHYL-5H-INDOLO[3,2-B]QUINOLINEA1K9G0.71
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.85
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.84
XYD2,5-DIMETHYLANILINEA1L4L0.84
ISOPARA-ISOPROPYLANILINEA1BMA0.93
ISOPARA-ISOPROPYLANILINEA,B1ELC0.93
ISOPARA-ISOPROPYLANILINEA,B1ELB0.93
ISOPARA-ISOPROPYLANILINEA,B1ELA0.93
5BM(2Z)-bis{amino[(2-aminophenyl)sulfanyl]methylidene}butanedinitrileA3EQH0.71
3AB3-aminobenzamideA,B,C,D3GOY0.7
TFMS-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREAA,B1K2U0.72
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.72
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.72
34A3,4-DIMETHYLANILINEA1L4K0.89
EBW4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-
3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-
2-ENYLBENZENAMINIUM
A1E3Q0.74
3NT3-NITROTOLUENEA,B2BMR0.72
3NT3-NITROTOLUENEA,B2HMO0.72
IDMINDOLINEA,B3CEP0.71
IDMINDOLINEA1AEK0.71
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.73
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.71
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.71
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.86
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.7
MGRMALACHITE GREENA,B3BQZ0.79
MGRMALACHITE GREENA1Q8N0.79
MGRMALACHITE GREENA,B3BR00.79
MGRMALACHITE GREENA,D,E3BTL0.79
MGRMALACHITE GREENA,B,D,E3BTC0.79
MGRMALACHITE GREENA,B,D,E1JUP0.79
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.74
BHYN,N'-[biphenyl-4,4'-diyldi(2R)propane-
2,1-diyl]dimethanesulfonamide
A,B3BBR0.71
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.75
PNZP-NITRO-BENZYLAMINEA,B2C700.75
SC52-[((R)-{[4-(AMINOMETHYL)PHENYL]AMINO}{[(1R)-
1-PHENYLETHYL]AMINO}METHYL)AMINO]ETHANE-
1,1-DIOL
H1YNK0.7
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.77
TPM2-(4-AMINOBENZYLAMINO)-3,4,5,6-
TETRAHYDROPYRIDINIUM
J,K,L1F3D0.72
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.82
1AN2-FLUOROANILINEA1LGW0.73
U195-IMINO-4-(2-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG50.7
PBZP-AMINO BENZAMIDINEA,B2BDG0.79
PBZP-AMINO BENZAMIDINEA1RFN0.79
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.79
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.79
PBZP-AMINO BENZAMIDINEA1FIZ0.79
PBZP-AMINO BENZAMIDINEA1FIW0.79
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.79
TNL2,4,6-TRINITROTOLUENEA1GVR0.7
BRNBERENILA,B268D0.77
BRNBERENILA,B1D630.77
BRNBERENILA,D,E2GBY0.77
BRNBERENILA2DBE0.77
BRNBERENILA2GVR0.77
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.74
PRY2-PROPYL-ANILINEA1OWY0.87
SBN2-AMINO-6-(3,5-DIMETHYLPHENYL)SULFONYLBENZONITRILEA1JLQ0.7
ANLANILINEA2OV40.76
ANLANILINEA1AEE0.76
ANLANILINEA1PPA0.76
ANLANILINEA1HJ90.76
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
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.71
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.72
2631-(azidomethyl)-3-methylbenzeneX2RB20.71
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.81
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.81
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.81
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.81
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.82
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.77
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QJU0.79
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QB40.79
IXX3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-
N,N-DIMETHYLPROPAN-1-AMINE
A2Q720.78
N2M5-AMINO-NAPHTALENE-2-MONOSULFONATEC,D1HKN0.71
9AP9-AMINOPHENANTHRENEA1EGY0.83
CXX3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N,N-DIMETHYLPROPAN-1-AMINE
A2Q6H0.7
CXX3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N,N-DIMETHYLPROPAN-1-AMINE
A2QEI0.7
5AN3,5-DIFLUOROANILINEA1LGX0.71
ANCANTHRACEN-1-YLAMINEA,B1GT10.82
ANCANTHRACEN-1-YLAMINEA,B1HN20.82
UFO1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-
6-yl)methanamine
A,B,D3GQT0.72