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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03372338

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.78
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.78
N2M5-AMINO-NAPHTALENE-2-MONOSULFONATEC,D1HKN0.73
3AB3-aminobenzamideA,B,C,D3GOY0.72
TPM2-(4-AMINOBENZYLAMINO)-3,4,5,6-
TETRAHYDROPYRIDINIUM
J,K,L1F3D0.73
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.91
PHZ1-PHENYLHYDRAZINEA2E2T0.72
PHZ1-PHENYLHYDRAZINED,H2AGL0.72
PBZP-AMINO BENZAMIDINEA,B2BDG0.77
PBZP-AMINO BENZAMIDINEA1RFN0.77
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.77
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.77
PBZP-AMINO BENZAMIDINEA1FIZ0.77
PBZP-AMINO BENZAMIDINEA1FIW0.77
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.77
2631-(azidomethyl)-3-methylbenzeneX2RB20.73
BRNBERENILA,B268D0.76
BRNBERENILA,B1D630.76
BRNBERENILA,D,E2GBY0.76
BRNBERENILA2DBE0.76
BRNBERENILA2GVR0.76
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.78
PNZP-NITRO-BENZYLAMINEA,B2C700.78
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.8
U125-IMINO-4-(3-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG20.72
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.84
3NT3-NITROTOLUENEA,B2BMR0.72
3NT3-NITROTOLUENEA,B2HMO0.72
IDMINDOLINEA,B3CEP0.76
IDMINDOLINEA1AEK0.76
1MRN-METHYLANILINEX2OTZ0.72
GVQ(2R)-2-(4-CHLOROPHENYL)-2-PHENYLETHANAMINEA2UW80.72
ANCANTHRACEN-1-YLAMINEA,B1GT10.85
ANCANTHRACEN-1-YLAMINEA,B1HN20.85
UN6(3-{[3-(3-SULFOAMINO-PHENYL)-PROPIONYLAMINO]-
METHYL}-PHENYL)-SULFAMIC ACID
A2F700.72
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.7
IXX3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-
N,N-DIMETHYLPROPAN-1-AMINE
A2Q720.76
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.86
XYD2,5-DIMETHYLANILINEA1L4L0.86
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.74
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.74
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.73
FBA4-FLUOROBENZYLAMINEA1TNH0.73
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.74
PRY2-PROPYL-ANILINEA1OWY0.85
ABNBENZYLAMINED,H2HXC0.76
ABNBENZYLAMINEA,I1A860.76
ABNBENZYLAMINEA1UTN0.76
ABNBENZYLAMINEA1N6X0.76
ABNBENZYLAMINEA2BZA0.76
ABNBENZYLAMINEA2EUS0.76
ABNBENZYLAMINEA1N6Y0.76
ABNBENZYLAMINEA1UTJ0.76
9AP9-AMINOPHENANTHRENEA1EGY0.85
BHYN,N'-[biphenyl-4,4'-diyldi(2R)propane-
2,1-diyl]dimethanesulfonamide
A,B3BBR0.71
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.76
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.73
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.73
B2FPHENYLALANINE BORONIC ACIDA,P1P060.73
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.73
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.73
BZZBENZYLHYDRAZINEA,B2E2V0.72
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.75
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.75
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.75
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.75
1AN2-FLUOROANILINEA1LGW0.73
U195-IMINO-4-(2-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG50.7
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.78
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
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.75
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.75
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.74
264(phenylamino)acetonitrileA2RBN0.73
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.83
NYLN-ALLYL-ANILINEA1OVK0.74
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.75
ANLANILINEA2OV40.76
ANLANILINEA1AEE0.76
ANLANILINEA1PPA0.76
ANLANILINEA1HJ90.76
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.83
UFO1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-
6-yl)methanamine
A,B,D3GQT0.74
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.71
2CM2-CHLORO-6-METHYL-ANILINEA1OVH0.71
EBW4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-
3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-
2-ENYLBENZENAMINIUM
A1E3Q0.71
ZAB(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B2H3S0.71
ZAB(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B,C,D2H4B0.71
CVICRYSTAL VIOLETA,B,D,E1JTX0.74
ISOPARA-ISOPROPYLANILINEA1BMA0.87
ISOPARA-ISOPROPYLANILINEA,B1ELC0.87
ISOPARA-ISOPROPYLANILINEA,B1ELB0.87
ISOPARA-ISOPROPYLANILINEA,B1ELA0.87
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.73
271N-methyl-1-phenylmethanamineX2RBT0.72
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
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.73
5NS5-aminonaphthalene-1-sulfonic acidA,B3CFT0.73
5AN3,5-DIFLUOROANILINEA1LGX0.71
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.76
PEA2-PHENYLETHYLAMINEA1TNJ0.76
PEA2-PHENYLETHYLAMINED,H2HKM0.76
PEA2-PHENYLETHYLAMINEA1UTO0.76
PEA2-PHENYLETHYLAMINEA,B1D6Y0.76
PEA2-PHENYLETHYLAMINEA,B1D6Z0.76
PEA2-PHENYLETHYLAMINEA,B1D6U0.76
PEA2-PHENYLETHYLAMINEA1UTM0.76
EAB(3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B2H3T0.71
PRA3-PHENYLPROPYLAMINEA1TNK0.74
PRA3-PHENYLPROPYLAMINEM1UTL0.74
34A3,4-DIMETHYLANILINEA1L4K0.87
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.79
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.79
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.79
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.79
PBN4-PHENYLBUTYLAMINEA1TNI0.74
PBN4-PHENYLBUTYLAMINEA1UTP0.74