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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02237522

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AGBN-(1-ADAMANTYL)-N'-(4-GUANIDINOBENZYL)UREAA1EJN0.71
NP2N-(3-AMINOPROPYL)-2-NITROBENZENAMINEA1WUM0.75
PL01-phenylguanidineA2O8W0.83
TPM2-(4-AMINOBENZYLAMINO)-3,4,5,6-
TETRAHYDROPYRIDINIUM
J,K,L1F3D0.73
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.72
T2D1,2,5-THIADIAZOLIDIN-3-ONE-1,1-
DIOXIDE
A2BGE0.72
RJ1N-[2-chloro-5-(trifluoromethyl)phenyl]imidodicarbonimidic diamideA,B,C,D3DGA0.7
BSU1,3-DIPHENYLUREAA3E850.83
BSU1,3-DIPHENYLUREAA2ZJF0.83
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.73
NYLN-ALLYL-ANILINEA1OVK0.87
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QJU0.77
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QB40.77
PRY2-PROPYL-ANILINEA1OWY0.73
URSN-PHENYLTHIOUREAA,B1BUG0.84
SC52-[((R)-{[4-(AMINOMETHYL)PHENYL]AMINO}{[(1R)-
1-PHENYLETHYL]AMINO}METHYL)AMINO]ETHANE-
1,1-DIOL
H1YNK0.77
566(3S)-1-CYCLOHEXYL-5-OXO-N-PHENYLPYRROLIDINE-
3-CARBOXAMIDE
A2H7I0.71
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.72
XYD2,5-DIMETHYLANILINEA1L4L0.72
271N-methyl-1-phenylmethanamineX2RBT0.71
PH3N-(CHLOROPHENYL)-N'-HYDROXYGUANIDINEA,B1DM60.72
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA1S6R0.73
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA,B1K6S0.73
ANLANILINEA2OV40.73
ANLANILINEA1AEE0.73
ANLANILINEA1PPA0.73
ANLANILINEA1HJ90.73
UFO1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-
6-yl)methanamine
A,B,D3GQT0.75
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.71
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.8
1712-PHENYLAMINO-ETHANESULFONIC ACIDA,B1SXG0.75
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA,B1EK10.87
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA1VJ50.87
1AN2-FLUOROANILINEA1LGW0.71
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.76
CVICRYSTAL VIOLETA,B,D,E1JTX0.7
264(phenylamino)acetonitrileA2RBN0.86
IDMINDOLINEA,B3CEP0.78
IDMINDOLINEA1AEK0.78
427(R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2-
DIOXABOROLAN-2-YL)PHENYL)GUANIDINE
A1ZMN0.71
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.72
ISOPARA-ISOPROPYLANILINEA1BMA0.71
ISOPARA-ISOPROPYLANILINEA,B1ELC0.71
ISOPARA-ISOPROPYLANILINEA,B1ELB0.71
ISOPARA-ISOPROPYLANILINEA,B1ELA0.71
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.7
1MRN-METHYLANILINEX2OTZ0.87
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.75
IXX3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-
N,N-DIMETHYLPROPAN-1-AMINE
A2Q720.72
34A3,4-DIMETHYLANILINEA1L4K0.71
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
A8BA1ODC0.71