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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01315924

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.71
ISOPARA-ISOPROPYLANILINEA1BMA0.75
ISOPARA-ISOPROPYLANILINEA,B1ELC0.75
ISOPARA-ISOPROPYLANILINEA,B1ELB0.75
ISOPARA-ISOPROPYLANILINEA,B1ELA0.75
BZZBENZYLHYDRAZINEA,B2E2V0.73
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.74
XYD2,5-DIMETHYLANILINEA1L4L0.74
PBZP-AMINO BENZAMIDINEA,B2BDG0.7
PBZP-AMINO BENZAMIDINEA1RFN0.7
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.7
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.7
PBZP-AMINO BENZAMIDINEA1FIZ0.7
PBZP-AMINO BENZAMIDINEA1FIW0.7
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.7
34A3,4-DIMETHYLANILINEA1L4K0.75
A8BA1ODC0.73
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.78
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.73
1MRN-METHYLANILINEX2OTZ0.72
PRY2-PROPYL-ANILINEA1OWY0.75
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.72
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.72
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.72
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.72
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.72
IDMINDOLINEA,B3CEP0.75
IDMINDOLINEA1AEK0.75
264(phenylamino)acetonitrileA2RBN0.73
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.71
NYLN-ALLYL-ANILINEA1OVK0.74
PHZ1-PHENYLHYDRAZINEA2E2T0.76
PHZ1-PHENYLHYDRAZINED,H2AGL0.76
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.71
PNZP-NITRO-BENZYLAMINEA,B2C700.71
IXX3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-
N,N-DIMETHYLPROPAN-1-AMINE
A2Q720.74
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.73
CVICRYSTAL VIOLETA,B,D,E1JTX0.7
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
BRNBERENILA,B268D0.74
BRNBERENILA,B1D630.74
BRNBERENILA,D,E2GBY0.74
BRNBERENILA2DBE0.74
BRNBERENILA2GVR0.74
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.79
TPM2-(4-AMINOBENZYLAMINO)-3,4,5,6-
TETRAHYDROPYRIDINIUM
J,K,L1F3D0.79
MGRMALACHITE GREENA,B3BQZ0.7
MGRMALACHITE GREENA1Q8N0.7
MGRMALACHITE GREENA,B3BR00.7
MGRMALACHITE GREENA,D,E3BTL0.7
MGRMALACHITE GREENA,B,D,E3BTC0.7
MGRMALACHITE GREENA,B,D,E1JUP0.7
UFO1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-
6-yl)methanamine
A,B,D3GQT0.77