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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01280225

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.72
V36L-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C1VGC0.71
PRA3-PHENYLPROPYLAMINEA1TNK0.71
PRA3-PHENYLPROPYLAMINEM1UTL0.71
APF1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-
2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
B,C1GG60.71
APF1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-
2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
G6GCH0.71
PBN4-PHENYLBUTYLAMINEA1TNI0.71
PBN4-PHENYLBUTYLAMINEA1UTP0.71
BNFN-BENZYLFORMAMIDEA,B1U3U0.75
CPUA,B1CR60.85
SRBL-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C3VGC0.72
5FH(5S)-5-benzylimidazolidine-2,4-
dione
A2JLO0.75
FAF2-ACETYLAMINO-4-METHYL-PENTANOIC ACID (1-
FORMYL-2-PHENYL-ETHYL)-AMIDE
B,C1GGD0.72
X9Q{(2S)-2-[(1S)-1-AMINOETHYL]-4-BENZYL-
5-OXO-2,5-DIHYDRO-1H-IMIDAZOL-1-
YL}ACETIC ACID
A2HGD0.7
4FP4-(4-FLUOROBENZYL)PIPERIDINEA2OHN0.71
DI2AC-(D)PHE-PRO-BOROLYS-OHH1LHD0.72
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.73
JNH1-[2-(S)-AMINO-3-BIPHENYL-4-YL-
PROPIONYL]-PYRROLIDINE-2-(S)-CARBONITRILE
I,J2AJL0.71
SRDD-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C4VGC0.72
DP7AC-(D)PHE-PRO-BOROARG-OHH1LHC0.72
44Ubeta-phenyl-D-phenylalanyl-N-propyl-
L-prolinamide
B,D3DA90.71
DI5AC-(D)PHE-PRO-BOROHOMOORNITHINE-
OH
H1LHG0.73
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIM0.76
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIL0.76
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
DI4AC-(D)PHE-PRO-BOROHOMOLYS-OHH1LHF0.72
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNT0.71
L18(2S)-1-methyl-2-[(2S,4R)-2-methyl-
4-phenylpentyl]piperidine
A2JJG0.71
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.73
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.73
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.73
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.73
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.78
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.78
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.78
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.73
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.73
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.73
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.73
MKC6-BENZYL-1-ETHOXYMETHYL-5-ISOPROPYL URACILA1RT10.75
APE(1-AMINO-2-PHENYL-ETHYL)-CARBAMIC ACIDE,I1SCN0.78
LPF1,1,1-TRIFLUORO-3-((N-ACETYL)-L-
LEUCYLAMIDO)-4-PHENYL-BUTAN-2-ONE(N-
ACETYL-L-LEUCYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
G7GCH0.7
N2T(2S)-4-(2,5-DIFLUOROPHENYL)-N-METHYL-
2-PHENYL-N-PIPERIDIN-4-YL-2,5-DIHYDRO-
1H-PYRROLE-1-CARBOXAMIDE
A,B2FKY0.81
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA,B2NMX0.72
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA2NNS0.72
PSSETHYLAMINOBENZYLMETHYLCARBONYL GROUPA1EAG0.71
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNS0.71
GCA6-(3',5'-DIMETHYLBENZYL)-1-ETHOXYMETHYL-
5-ISOPROPYLURACIL
A1C1B0.72
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.71
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.71
B2FPHENYLALANINE BORONIC ACIDA,P1P060.71
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.71
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.71
V35D-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C2VGC0.71
F1HN-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamideA2ZJH0.7
N9H(5S)-5-(3-AMINOPROPYL)-3-(2,5-DIFLUOROPHENYL)-
N-ETHYL-5-PHENYL-4,5-DIHYDRO-1H-
PYRAZOLE-1-CARBOXAMIDE
A,B2G1Q0.71
N4T(1S)-1-CYCLOPROPYL-2-[(2S)-4-(2,5-
DIFLUOROPHENYL)-2-PHENYL-2,5-DIHYDRO-
1H-PYRROL-1-YL]-2-OXOETHANAMINE
A,B2FL20.7
FPA1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDEE,I4EST0.77
TTXTENTOXINB1KMH0.72
271N-methyl-1-phenylmethanamineX2RBT0.72
N5T(2S)-4-(2,5-DIFLUOROPHENYL)-N,N-
DIMETHYL-2-PHENYL-2,5-DIHYDRO-1H-
PYRROLE-1-CARBOXAMIDE
A,B2FL60.81
DPKDEPRENYLA,B2BYB0.77
MINMETHYL-PHE-PRO-AMINO-CYCLOHEXYLGLYCINEH,I1TOM0.71
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.8
BACN-(4-IODO-BENZYL)-FORMAMIDEA,B,C,D2WPO0.72