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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01352321

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
N2T(2S)-4-(2,5-DIFLUOROPHENYL)-N-METHYL-
2-PHENYL-N-PIPERIDIN-4-YL-2,5-DIHYDRO-
1H-PYRROLE-1-CARBOXAMIDE		A,B2FKY0.7
GK5N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)-
6-methylbiphenyl-3,4'-dicarboxamide		A3D7Z0.72
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
BNFN-BENZYLFORMAMIDEA,B1U3U0.73
S27N-[[2-METHYL-4-HYDROXYCARBAMOYL]BUT-
4-YL-N]-BENZYL-P-[PHENYL]-P-[METHYL]PHOSPHINAMID		A,B1B3D0.7
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.72
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.72
B2FPHENYLALANINE BORONIC ACIDA,P1P060.72
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.72
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.72
GCA6-(3',5'-DIMETHYLBENZYL)-1-ETHOXYMETHYL-
5-ISOPROPYLURACIL		A1C1B0.71
ICXmethyl N-[(5Z)-6-({[4-(4-iodobenzyl)phenyl]carbonyl}amino)hex-
5-enoyl]glycinate		A,C,D,E,G,P,
Q,R,W		3CWB0.71
FRFPHE-REDUCED-PHEA,I1GVX0.72
Y13(2E)-3-(3,4-DIHYDROXYPHENYL)-N-
[2-(4-HYDROXYPHENYL)ETHYL]ACRYLAMIDE		A2EW60.72
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide		A,B3CNS0.72
UN6(3-{[3-(3-SULFOAMINO-PHENYL)-PROPIONYLAMINO]-
METHYL}-PHENYL)-SULFAMIC ACID		A2F700.75
MINMETHYL-PHE-PRO-AMINO-CYCLOHEXYLGLYCINEH,I1TOM0.73
KR2(2R)-4-(2-BENZOYL-1,2-DIAZEPAN-
1-YL)-4-OXO-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-
2-AMINE		A,B2OLE0.7
IPP(P-IODOPHENYLACETYLAMINO)METHYLPHOSPHINIC ACIDA,B1BLS0.7
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.73
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.73
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.73
FPBN-({(2S)-1-[(3R)-3-AMINO-4-(2-FLUOROPHENYL)BUTANOYL]PYRROLIDIN-
2-YL}METHYL)BENZAMIDE		A,B2BUB0.72
APLN-(1-BENZYL-3,3,3-TRIFLUORO-2,2-
DIHYDROXY-PROPYL)-ACETAMIDE		B,C1GG60.74
998N-METHYLALANYL-3-METHYLVALYL-N-
(1,2,3,4-TETRAHYDRONAPHTHALEN-1-
YL)PROLINAMIDE		A1TFQ0.7
BJP(1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACIDA1ERO0.72
DI2AC-(D)PHE-PRO-BOROLYS-OHH1LHD0.72
APE(1-AMINO-2-PHENYL-ETHYL)-CARBAMIC ACIDE,I1SCN0.8
BACN-(4-IODO-BENZYL)-FORMAMIDEA,B,C,D2WPO0.71
DFMN-ACETYL-L-PHENYLALANYL-4-[DIFLUORO(PHOSPHONO)METHYL]-
L-PHENYLALANINAMIDE		A2CMC0.72
FPA1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDEE,I4EST0.79
RRT(R)-RETRO-THIORPHANE1Z9G0.73
DI5AC-(D)PHE-PRO-BOROHOMOORNITHINE-
OH		H1LHG0.73
FAF2-ACETYLAMINO-4-METHYL-PENTANOIC ACID (1-
FORMYL-2-PHENYL-ETHYL)-AMIDE		B,C1GGD0.73
DI4AC-(D)PHE-PRO-BOROHOMOLYS-OHH1LHF0.72
53UD-phenylalanyl-N-benzyl-L-prolinamideH,I2ZFF0.75
K7IL-alanyl-N-[(1S,2R)-1-benzyl-2-
hydroxypropyl]-L-alaninamide		A,B2QXG0.74
PLHMETHYLAMINO-PHENYLALANYL-LEUCYL-
HYDROXAMIC ACID		A1HFC0.73
PLHMETHYLAMINO-PHENYLALANYL-LEUCYL-
HYDROXAMIC ACID		A1MNC0.73
KHA1-(4-{[(2-HYDROXYETHYL)AMINO]CARBONYL}BENZYL)-
1-METHYLPIPERIDINIUM		H,L,X,Y1UWG0.74
OIRN-(3-PHENYL-2-SULFANYLPROPANOYL)PHENYLALANYLALANINEA1R1J0.73
2BFALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACIDA,B,C,D1ND50.72
CPUA,B1CR60.77
BIRN-[3-[(1-AMINOETHYL)(HYDROXY)PHOSPHORYL]-
2-(1,1'-BIPHENYL-4-YLMETHYL)PROPANOYL]ALANINE		A1R1H0.7
BIRN-[3-[(1-AMINOETHYL)(HYDROXY)PHOSPHORYL]-
2-(1,1'-BIPHENYL-4-YLMETHYL)PROPANOYL]ALANINE		L3B7R0.7
V35D-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C2VGC0.75
BR46-PHENYL-4(R)-(7-PHENYL-HEPTANOYLAMINO)-
HEXANOIC ACID		A1KQU0.75
HALN-{[2-({[1-(4-CARBOXYBUTANOYL)AMINO]-
2-PHENYLETHYL}-HYDROXYPHOSPHINYL)OXY]ACETYL}-
2-PHENYLETHYLAMINE		A,B,H1MJJ0.71
HALN-{[2-({[1-(4-CARBOXYBUTANOYL)AMINO]-
2-PHENYLETHYL}-HYDROXYPHOSPHINYL)OXY]ACETYL}-
2-PHENYLETHYLAMINE		B,H1MH50.71
HALN-{[2-({[1-(4-CARBOXYBUTANOYL)AMINO]-
2-PHENYLETHYL}-HYDROXYPHOSPHINYL)OXY]ACETYL}-
2-PHENYLETHYLAMINE		H1MJ70.71
MN21-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENEN1NLO0.75
MKC6-BENZYL-1-ETHOXYMETHYL-5-ISOPROPYL URACILA1RT10.73
SBLL-NAPHTHYL-1-ACETAMIDO BORONIC ACID ALANINEA1AV70.74
37UD-phenylalanyl-N-(3-fluorobenzyl)-
L-prolinamide		H,I2ZDV0.74
PPB1-{[1-(2-AMINO-3-PHENYL-PROPIONYL)-
PYRROLIDINE-2-CARBONYL]-AMINO}-
2-(3-CYANO-PHENYL)-ETHANEBORONIC ACID		A1AUJ0.72
BAGN-[(E)-2-AMINO-1-(3-{[AMINO(IMINO)METHYL]AMINO}PROPYL)-
2-HYDROXYVINYL]BENZAMIDE		A1WDA0.73
51UD-phenylalanyl-N-(3-methylbenzyl)-
L-prolinamide		H,I2ZF00.74
LPF1,1,1-TRIFLUORO-3-((N-ACETYL)-L-
LEUCYLAMIDO)-4-PHENYL-BUTAN-2-ONE(N-
ACETYL-L-LEUCYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)		G7GCH0.72
44Ubeta-phenyl-D-phenylalanyl-N-propyl-
L-prolinamide		B,D3DA90.74
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.76
JNH1-[2-(S)-AMINO-3-BIPHENYL-4-YL-
PROPIONYL]-PYRROLIDINE-2-(S)-CARBONITRILE		I,J2AJL0.74
HIN(2S) N-ACETYL-L-ALANYL-ALPHAL-PHENYLALANYL-
CHLOROETHYLKETONE		B2GMT0.7
HPIN-(1-CARBOXY-3-PHENYLPROPYL)PHENYLALANYL-
ALPHA-ASPARAGINE		A1U4G0.71
SRDD-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C4VGC0.8
TTXTENTOXINB1KMH0.75
NDFN-(CARBOXYCARBONYL)-D-PHENYLALANINEA1YCI0.7
TIO(2-MERCAPTOMETHYL-3-PHENYL-PROPIONYL)-
GLYCINE		E1ZDP0.7
U1N4-[(3R)-3-{[2-(4-FLUOROPHENYL)-
2-OXOETHYL]AMINO}BUTYL]BENZAMIDE		A,B2OGZ0.71
V36L-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C1VGC0.75
SBDD-NAPHTHYL-1-ACETAMIDO BORONIC ACID ALANINEA3VSB0.74
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide		A,B3CNT0.72
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B,C,D1SN90.7
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B1SNE0.7
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B,C,D1SNA0.7
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B1XOF0.7
F1HN-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamideA2ZJH0.73
3575-ETHYL-3-[(2-METHOXYETHYL)METHYLAMINO]-
6-METHYL-4-(3-METHYLBENZYL)PYRIDIN-
2(1H)-ONE		A2BAN0.71
BAU1-((2-HYDROXYETHOXY)METHYL)-5-BENZYLPYRIMIDINE-
2,4(1H,3H)-DIONE		A,B,C,D,E,F1U1C0.71
BAU1-((2-HYDROXYETHOXY)METHYL)-5-BENZYLPYRIMIDINE-
2,4(1H,3H)-DIONE		A,B,C,D3EUF0.71
SRBL-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C3VGC0.8
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA,B2NMX0.73
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA2NNS0.73
N4T(1S)-1-CYCLOPROPYL-2-[(2S)-4-(2,5-
DIFLUOROPHENYL)-2-PHENYL-2,5-DIHYDRO-
1H-PYRROL-1-YL]-2-OXOETHANAMINE		A,B2FL20.72
TI1[2(R,S)-2-SULFANYLHEPTANOYL]-PHE-
ALA		A1R1I0.71
TI1[2(R,S)-2-SULFANYLHEPTANOYL]-PHE-
ALA		A1QF10.71