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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01243750

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.77
ISOPARA-ISOPROPYLANILINEA1BMA0.75
ISOPARA-ISOPROPYLANILINEA,B1ELC0.75
ISOPARA-ISOPROPYLANILINEA,B1ELB0.75
ISOPARA-ISOPROPYLANILINEA,B1ELA0.75
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.75
XYD2,5-DIMETHYLANILINEA1L4L0.75
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.74
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.73
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.73
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.73
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.73
34A3,4-DIMETHYLANILINEA1L4K0.75
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.7
PNZP-NITRO-BENZYLAMINEA,B2C700.7
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QJU0.75
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QB40.75
LO1[[4-(AMINOMETHYL)PHENYL]AMINO]OXO-
ACETIC ACID,
A1WAX0.71
4PG1-[4-(2-oxo-2-phenylethyl)phenyl]guanidineU2R2W0.72
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.75
URSN-PHENYLTHIOUREAA,B1BUG0.74
NYLN-ALLYL-ANILINEA1OVK0.76
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.72
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.72
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.72
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.72
271N-methyl-1-phenylmethanamineX2RBT0.71
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.71
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.78
RJ1N-[2-chloro-5-(trifluoromethyl)phenyl]imidodicarbonimidic diamideA,B,C,D3DGA0.73
264(phenylamino)acetonitrileA2RBN0.75
PRY2-PROPYL-ANILINEA1OWY0.76
AGBN-(1-ADAMANTYL)-N'-(4-GUANIDINOBENZYL)UREAA1EJN0.7
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
NR2N-({[4-(AMINOSULFONYL)PHENYL]AMINO}CARBONYL)-
4-METHYLBENZENESULFONAMIDE
A1ZFK0.7
G1L3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDEA,B2I800.71
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
TFMS-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREAA,B1K2U0.79
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.73
UFO1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-
6-yl)methanamine
A,B,D3GQT0.74
TPM2-(4-AMINOBENZYLAMINO)-3,4,5,6-
TETRAHYDROPYRIDINIUM
J,K,L1F3D0.82
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1K2T0.75
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1D1V0.75
CVICRYSTAL VIOLETA,B,D,E1JTX0.74
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.73
BSU1,3-DIPHENYLUREAA3E850.7
BSU1,3-DIPHENYLUREAA2ZJF0.7
PL01-phenylguanidineA2O8W0.78
ZMG(5R)-2-[(2-fluorophenyl)amino]-
5-(1-methylethyl)-1,3-thiazol-4(5H)-
one
A,B,C,D2RBE0.74
IXX3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-
N,N-DIMETHYLPROPAN-1-AMINE
A2Q720.72
1JZ1-[4-(hydroxymethyl)phenyl]guanidineB3FVF0.71
1MRN-METHYLANILINEX2OTZ0.76
IDMINDOLINEA,B3CEP0.77
IDMINDOLINEA1AEK0.77