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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01739236

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PDM4-[4-(2,5-DIOXO-PYRROLIDIN-1-YL)-
PHENYLAMINO]-4-HYDROXY-BUTYRIC ACID
A,B,C1L2O0.78
PDM4-[4-(2,5-DIOXO-PYRROLIDIN-1-YL)-
PHENYLAMINO]-4-HYDROXY-BUTYRIC ACID
A,C1KWO0.78
1MRN-METHYLANILINEX2OTZ0.74
SU23-[4-(1-FORMYLPIPERAZIN-4-YL)-BENZYLIDENYL]-
2-INDOLINONE
A,B1AGW0.75
12Q1-METHYLQUINOLIN-2(1H)-ONEA,B2F640.7
665(3S)-N-(3-BROMOPHENYL)-1-CYCLOHEXYL-
5-OXOPYRROLIDINE-3-CARBOXAMIDE
A2H7L0.79
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.76
744(3S)-N-(5-CHLORO-2-METHYLPHENYL)-
1-CYCLOHEXYL-5-OXOPYRROLIDINE-3-
CARBOXAMIDE
A2H7N0.74
NP2N-(3-AMINOPROPYL)-2-NITROBENZENAMINEA1WUM0.74
CF39,9,9-TRIFLUORO-8-OXO-N-PHENYLNONANAMIDEA,B,C,D2GH60.77
W22[(2S)-4-methyl-3-oxo-2,3,4,5-tetrahydro-
1H-1,4-benzodiazepin-2-yl]acetic acid
A,B2WKW0.76
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA,B1EK10.74
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA1VJ50.74
468(3S)-N-(3-CHLORO-2-METHYLPHENYL)-
1-CYCLOHEXYL-5-OXOPYRROLIDINE-3-
CARBOXAMIDE
A2H7P0.74
ISNISATINA,B1OJA0.72
ISNISATINA,B2BK50.72
51UD-phenylalanyl-N-(3-methylbenzyl)-
L-prolinamide
H,I2ZF00.71
1712-PHENYLAMINO-ETHANESULFONIC ACIDA,B1SXG0.71
37UD-phenylalanyl-N-(3-fluorobenzyl)-
L-prolinamide
H,I2ZDV0.71
FOE2-(2-AMINO-3-OXO-PROPYLSULFANYL)-
N-(4-FLUORO-PHENYL)-N-ISOPROPYL-
ACETAMIDE
B1BX90.73
53UD-phenylalanyl-N-benzyl-L-prolinamideH,I2ZFF0.73
A51(3E)-3-[(phenylamino)methylidene]dihydrofuran-
2(3H)-one
A2QFO0.72
TYXS-(2-ANILINO-2-OXOETHYL)-L-CYSTEINEA2PQT0.75
LO1[[4-(AMINOMETHYL)PHENYL]AMINO]OXO-
ACETIC ACID,
A1WAX0.75
MX5{1-[4-(3,4-DIHYDROQUINOLIN-1(2H)-
YL)-4-OXOBUTANOYL]HYDRAZINO}ACETIC ACID
B,I2C2Z0.7
HBQISOPROPYL (2S)-2-ETHYL-7-FLUORO-
3-OXO-3,4-DIHYDROQUINOXALINE-1(2H)-
CARBOXYLATE
A2OPR0.78
HBQISOPROPYL (2S)-2-ETHYL-7-FLUORO-
3-OXO-3,4-DIHYDROQUINOXALINE-1(2H)-
CARBOXYLATE
A,B2OPS0.78
HBQISOPROPYL (2S)-2-ETHYL-7-FLUORO-
3-OXO-3,4-DIHYDROQUINOXALINE-1(2H)-
CARBOXYLATE
A2OPP0.78
HBQISOPROPYL (2S)-2-ETHYL-7-FLUORO-
3-OXO-3,4-DIHYDROQUINOXALINE-1(2H)-
CARBOXYLATE
A2OPQ0.78
EOB{1,3-PHENYLENEBIS[IMINO(2-OXOETHANE-
2,1-DIYL)]}BIS(PHOSPHONIC ACID)
A,B,C,D2FZG0.74
ZLDN-{[(5S)-3-(3-fluoro-4-morpholin-
4-ylphenyl)-2-oxo-1,3-oxazolidin-
5-yl]methyl}acetamide
0,1,2,4,9,A,
B,C,F,H,I,J,
K,L,M,N,P,Q,
R,S,T,X,Y,Z
3CPW0.74
ZLDN-{[(5S)-3-(3-fluoro-4-morpholin-
4-ylphenyl)-2-oxo-1,3-oxazolidin-
5-yl]methyl}acetamide
4,M,X,Y,Z3DLL0.74
LGD6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]-
4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)-
ONE
A2HVC0.71
BSU1,3-DIPHENYLUREAA3E850.74
BSU1,3-DIPHENYLUREAA2ZJF0.74
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA1S6R0.81
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA,B1K6S0.81
T2D1,2,5-THIADIAZOLIDIN-3-ONE-1,1-
DIOXIDE
A2BGE0.9
P1Z4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE-
3,5-DIONE
A,B2W980.72
P1Z4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE-
3,5-DIONE
A,B2BXC0.72
P1Z4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE-
3,5-DIONE
A2BXP0.72
P1Z4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE-
3,5-DIONE
A2BXQ0.72
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA1C3S0.79
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA,B,C3C0Z0.79
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA1T690.79
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA,B,C,D1ZZ10.79
641(3S)-1-CYCLOHEXYL-N-(3,5-DICHLOROPHENYL)-
5-OXOPYRROLIDINE-3-CARBOXAMIDE
A2H7M0.77
GA0GLYCYLALANYL-N-2-NAPHTHYL-L-PROLINEAMIDEA2DCM0.78
SG13-NITRO-4-(2-OXO-PYRROLIDIN-1-YL)-
BENZENESULFONAMIDE
A1KWQ0.75
BL5A,B1RL40.75
NYLN-ALLYL-ANILINEA1OVK0.78
566(3S)-1-CYCLOHEXYL-5-OXO-N-PHENYLPYRROLIDINE-
3-CARBOXAMIDE
A2H7I0.86
01W(2S)-2-ammonio-4-[(2,4-dinitrophenyl)amino]butanoateA,B3DS90.72
264(phenylamino)acetonitrileA2RBN0.77
IDMINDOLINEA,B3CEP0.72
IDMINDOLINEA1AEK0.72