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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03141699

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
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QJU0.74
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QB40.74
PBN4-PHENYLBUTYLAMINEA1TNI0.71
PBN4-PHENYLBUTYLAMINEA1UTP0.71
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.77
PNZP-NITRO-BENZYLAMINEA,B2C700.77
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.75
9AP9-AMINOPHENANTHRENEA1EGY0.74
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.71
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.71
BRNBERENILA,B268D0.83
BRNBERENILA,B1D630.83
BRNBERENILA,D,E2GBY0.83
BRNBERENILA2DBE0.83
BRNBERENILA2GVR0.83
UFO1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-
6-yl)methanamine
A,B,D3GQT0.71
ANLANILINEA2OV40.74
ANLANILINEA1AEE0.74
ANLANILINEA1PPA0.74
ANLANILINEA1HJ90.74
IXX3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-
N,N-DIMETHYLPROPAN-1-AMINE
A2Q720.71
ANCANTHRACEN-1-YLAMINEA,B1GT10.75
ANCANTHRACEN-1-YLAMINEA,B1HN20.75
PHZ1-PHENYLHYDRAZINEA2E2T0.84
PHZ1-PHENYLHYDRAZINED,H2AGL0.84
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
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.77
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.77
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.77
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.77
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.73
TPM2-(4-AMINOBENZYLAMINO)-3,4,5,6-
TETRAHYDROPYRIDINIUM
J,K,L1F3D0.72
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.78
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.74
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.74
1MRN-METHYLANILINEX2OTZ0.7
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.71
FBA4-FLUOROBENZYLAMINEA1TNH0.71
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.8
XYD2,5-DIMETHYLANILINEA1L4L0.8
IDMINDOLINEA,B3CEP0.73
IDMINDOLINEA1AEK0.73
PRY2-PROPYL-ANILINEA1OWY0.81
ABNBENZYLAMINED,H2HXC0.74
ABNBENZYLAMINEA,I1A860.74
ABNBENZYLAMINEA1UTN0.74
ABNBENZYLAMINEA1N6X0.74
ABNBENZYLAMINEA2BZA0.74
ABNBENZYLAMINEA2EUS0.74
ABNBENZYLAMINEA1N6Y0.74
ABNBENZYLAMINEA1UTJ0.74
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
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.87
1AN2-FLUOROANILINEA1LGW0.71
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.73
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
BZZBENZYLHYDRAZINEA,B2E2V0.82
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.76
34A3,4-DIMETHYLANILINEA1L4K0.79
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.75
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.78
NYLN-ALLYL-ANILINEA1OVK0.72
PNDP-NITROPHENYLHYDRAZINEA,G1JMZ0.74
271N-methyl-1-phenylmethanamineX2RBT0.7
264(phenylamino)acetonitrileA2RBN0.72
ISOPARA-ISOPROPYLANILINEA1BMA0.79
ISOPARA-ISOPROPYLANILINEA,B1ELC0.79
ISOPARA-ISOPROPYLANILINEA,B1ELB0.79
ISOPARA-ISOPROPYLANILINEA,B1ELA0.79