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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02251659

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PRA3-PHENYLPROPYLAMINEA1TNK0.71
PRA3-PHENYLPROPYLAMINEM1UTL0.71
PRY2-PROPYL-ANILINEA1OWY0.86
PBN4-PHENYLBUTYLAMINEA1TNI0.71
PBN4-PHENYLBUTYLAMINEA1UTP0.71
ISOPARA-ISOPROPYLANILINEA1BMA0.89
ISOPARA-ISOPROPYLANILINEA,B1ELC0.89
ISOPARA-ISOPROPYLANILINEA,B1ELB0.89
ISOPARA-ISOPROPYLANILINEA,B1ELA0.89
EBW4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-
3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-
2-ENYLBENZENAMINIUM
A1E3Q0.73
ANLANILINEA2OV40.72
ANLANILINEA1AEE0.72
ANLANILINEA1PPA0.72
ANLANILINEA1HJ90.72
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.77
PNZP-NITRO-BENZYLAMINEA,B2C700.77
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.7
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.71
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.85
SBN2-AMINO-6-(3,5-DIMETHYLPHENYL)SULFONYLBENZONITRILEA1JLQ0.71
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.79
2631-(azidomethyl)-3-methylbenzeneX2RB20.74
34A3,4-DIMETHYLANILINEA1L4K0.85
CVICRYSTAL VIOLETA,B,D,E1JTX0.76
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.77
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.77
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.7
TPM2-(4-AMINOBENZYLAMINO)-3,4,5,6-
TETRAHYDROPYRIDINIUM
J,K,L1F3D0.74
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.74
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.74
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.74
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.74
A8BA1ODC0.72
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.78
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.78
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.78
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.78
N2M5-AMINO-NAPHTALENE-2-MONOSULFONATEC,D1HKN0.7
NYLN-ALLYL-ANILINEA1OVK0.71
CXX3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N,N-DIMETHYLPROPAN-1-AMINE
A2Q6H0.71
CXX3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N,N-DIMETHYLPROPAN-1-AMINE
A2QEI0.71
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.72
PEA2-PHENYLETHYLAMINEA1TNJ0.72
PEA2-PHENYLETHYLAMINED,H2HKM0.72
PEA2-PHENYLETHYLAMINEA1UTO0.72
PEA2-PHENYLETHYLAMINEA,B1D6Y0.72
PEA2-PHENYLETHYLAMINEA,B1D6Z0.72
PEA2-PHENYLETHYLAMINEA,B1D6U0.72
PEA2-PHENYLETHYLAMINEA1UTM0.72
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.71
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.75
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.75
271N-methyl-1-phenylmethanamineX2RBT0.71
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.85
MGRMALACHITE GREENA,B3BQZ0.76
MGRMALACHITE GREENA1Q8N0.76
MGRMALACHITE GREENA,B3BR00.76
MGRMALACHITE GREENA,D,E3BTL0.76
MGRMALACHITE GREENA,B,D,E3BTC0.76
MGRMALACHITE GREENA,B,D,E1JUP0.76
1MRN-METHYLANILINEX2OTZ0.7
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.81
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.74
5NS5-aminonaphthalene-1-sulfonic acidA,B3CFT0.7
IDMINDOLINEA,B3CEP0.75
IDMINDOLINEA1AEK0.75
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.74
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.71
PBZP-AMINO BENZAMIDINEA,B2BDG0.76
PBZP-AMINO BENZAMIDINEA1RFN0.76
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.76
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.76
PBZP-AMINO BENZAMIDINEA1FIZ0.76
PBZP-AMINO BENZAMIDINEA1FIW0.76
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.76
UFO1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-
6-yl)methanamine
A,B,D3GQT0.74
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.82
2CM2-CHLORO-6-METHYL-ANILINEA1OVH0.71
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.74
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.74
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.83
XYD2,5-DIMETHYLANILINEA1L4L0.83
264(phenylamino)acetonitrileA2RBN0.7
IXX3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-
N,N-DIMETHYLPROPAN-1-AMINE
A2Q720.78
9AP9-AMINOPHENANTHRENEA1EGY0.83
BHYN,N'-[biphenyl-4,4'-diyldi(2R)propane-
2,1-diyl]dimethanesulfonamide
A,B3BBR0.72
ABNBENZYLAMINED,H2HXC0.72
ABNBENZYLAMINEA,I1A860.72
ABNBENZYLAMINEA1UTN0.72
ABNBENZYLAMINEA1N6X0.72
ABNBENZYLAMINEA2BZA0.72
ABNBENZYLAMINEA2EUS0.72
ABNBENZYLAMINEA1N6Y0.72
ABNBENZYLAMINEA1UTJ0.72
BRNBERENILA,B268D0.75
BRNBERENILA,B1D630.75
BRNBERENILA,D,E2GBY0.75
BRNBERENILA2DBE0.75
BRNBERENILA2GVR0.75
SC52-[((R)-{[4-(AMINOMETHYL)PHENYL]AMINO}{[(1R)-
1-PHENYLETHYL]AMINO}METHYL)AMINO]ETHANE-
1,1-DIOL
H1YNK0.71
ANCANTHRACEN-1-YLAMINEA,B1GT10.82
ANCANTHRACEN-1-YLAMINEA,B1HN20.82
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QJU0.81
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QB40.81
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.79
GVQ(2R)-2-(4-CHLOROPHENYL)-2-PHENYLETHANAMINEA2UW80.71
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.74