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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02094173

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
IOC4-(AMINOSULFONYL)-N-[(2,3,4-TRIFLUOROPHENYL)METHYL]-
BENZAMIDE
A1I9O0.78
DI5AC-(D)PHE-PRO-BOROHOMOORNITHINE-
OH
H1LHG0.7
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
IOE4-(AMINOSULFONYL)-N-[(2,4,6-TRIFLUOROPHENYL)METHYL]-
BENZAMIDE
A1I9P0.78
VS13-[[N-[MORPHOLIN-N-YL]-CARBONYL]-
PHENYLALANINYL-AMINO]-5- PHENYL-
PENTANE-1-SULFONYLBENZENE
A2P860.77
VS13-[[N-[MORPHOLIN-N-YL]-CARBONYL]-
PHENYLALANINYL-AMINO]-5- PHENYL-
PENTANE-1-SULFONYLBENZENE
A,B,C1F290.77
C4PN-[(1R)-2-(BENZYLSULFANYL)-1-FORMYLETHYL]-
N-(MORPHOLIN-4-YLCARBONYL)-L-PHENYLALANINAMIDE
A1NQC0.73
LPF1,1,1-TRIFLUORO-3-((N-ACETYL)-L-
LEUCYLAMIDO)-4-PHENYL-BUTAN-2-ONE(N-
ACETYL-L-LEUCYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
G7GCH0.71
D1RNALPHA-[(4-METHYLPIPERAZIN-1-YL)CARBONYL]-
N-{(1S)-3-PHENYL-1-[2-(PHENYLSULFONYL)ETHYL]PROPYL}-
L-PHENYLALANINAMIDE
A2P7U0.81
D1RNALPHA-[(4-METHYLPIPERAZIN-1-YL)CARBONYL]-
N-{(1S)-3-PHENYL-1-[2-(PHENYLSULFONYL)ETHYL]PROPYL}-
L-PHENYLALANINAMIDE
A,C2OZ20.81
C1PN~2~-(MORPHOLIN-4-YLCARBONYL)-N~1~-
[(1S,2E)-1-(2-PHENYLETHYL)-3-(PHENYLSULFONYL)PROP-
2-ENYL]-D-LEUCINAMIDE
A,B,C,D3BWK0.76
C1PN~2~-(MORPHOLIN-4-YLCARBONYL)-N~1~-
[(1S,2E)-1-(2-PHENYLETHYL)-3-(PHENYLSULFONYL)PROP-
2-ENYL]-D-LEUCINAMIDE
A,B1NPZ0.76
PLHMETHYLAMINO-PHENYLALANYL-LEUCYL-
HYDROXAMIC ACID
A1HFC0.7
PLHMETHYLAMINO-PHENYLALANYL-LEUCYL-
HYDROXAMIC ACID
A1MNC0.7
PG1PENICILLIN G ACYL-SERINEA,B1XA70.7
PG1PENICILLIN G ACYL-SERINEA2IWC0.7
PG1PENICILLIN G ACYL-SERINEA,B1MWT0.7
3CCN-[(2R)-5-(aminosulfonyl)-2,3-dihydro-
1H-inden-2-yl]-2-propylpentanamide
A2QO80.79
BSBN-BENZYL-4-SULFAMOYL-BENZAMIDEA1G4O0.8
TP2N-[TOSYL-D-PROLINYL]AMINO-ETHANETHIOLA,B1F4D0.77
TP2N-[TOSYL-D-PROLINYL]AMINO-ETHANETHIOLA,B1F4C0.77
B15[2,2'-({4-[({2-[4-(AMINOSULFONYL)PHENYL]ETHYL}AMINO)CARBONYL]BENZYL}IMINO)DIACETATO(2-
)-KAPPAO]COPPER
A2FOQ0.75
T29TRI166 (BIFUNCTIONAL BORONATE INHIBITOR)H1A3B0.73
SUB3-PHENYL-2-{[4-(TOLUENE-4-SULFONYL)-
THIOMORPHOLINE-3-CARBONYL]-AMINO}-
PROPIONIC ACID ETHYL ESTER
A1J4H0.78
AQSN,N-BIS(3-AMINOPROPYL)-2-ANTHRAQUINONESULFONAMIDEA386D0.72
SM3(1R)-1-(2-THIENYLACETYLAMINO)-1-
PHENYLMETHYLBORONIC ACID
A,B1PI40.8
SM3(1R)-1-(2-THIENYLACETYLAMINO)-1-
PHENYLMETHYLBORONIC ACID
A,B2FFY0.8
SM3(1R)-1-(2-THIENYLACETYLAMINO)-1-
PHENYLMETHYLBORONIC ACID
A,B1MY80.8
FAF2-ACETYLAMINO-4-METHYL-PENTANOIC ACID (1-
FORMYL-2-PHENYL-ETHYL)-AMIDE
B,C1GGD0.72
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3B2Q0.71
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4T0.71
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4R0.71
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3EIU0.71
F20N-BENZOYL-L-PHENYLALANYL-4-[(5S)-
1,1-DIOXIDO-3-OXOISOTHIAZOLIDIN-
5-YL]-L-PHENYLALANINAMIDE
A2CMA0.73
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA,B2NMX0.81
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA2NNS0.81
TI1[2(R,S)-2-SULFANYLHEPTANOYL]-PHE-
ALA
A1R1I0.72
TI1[2(R,S)-2-SULFANYLHEPTANOYL]-PHE-
ALA
A1QF10.72
JNH1-[2-(S)-AMINO-3-BIPHENYL-4-YL-
PROPIONYL]-PYRROLIDINE-2-(S)-CARBONITRILE
I,J2AJL0.71
MINMETHYL-PHE-PRO-AMINO-CYCLOHEXYLGLYCINEH,I1TOM0.72
F17N-{[4-(1,1-DIOXIDO-3-OXO-2,3-DIHYDROISOTHIAZOL-
5-YL)PHENYL]ACETYL}-L-PHENYLALANYL-
4-(1,1-DIOXIDO-3-OXO-2,3-DIHYDROISOTHIAZOL-
5-YL)-L-PHENYLALANINAMIDE
A2CMB0.71
IOF4-(AMINOSULFONYL)-N-[(3,4,5-TRIFLUOROPHENYL)METHYL]-
BENZAMIDE
A1I9Q0.78
CTBN-2-THIOPHEN-2-YL-ACETAMIDE BORONIC ACIDA,B1FSW0.7
SAB4-SULFONAMIDE-[1-(4-AMINOBUTANE)]BENZAMIDEA1OKM0.79
MYP4-MORPHOLIN-4-YL-PIPERIDINE-1-CARBOXYLIC ACID [1-
(3-BENZENESULFONYL-1-PROPYL-ALLYLCARBAMOYL)-
2-PHENYLETHYL]-AMIDE
A,B1M6D0.76
MQQN-[(1S)-1-[({(1S)-3-PHENYL-1-[2-
(PHENYLSULFONYL)ETHYL]PROPYL}AMINO)CARBONYL]-
3-(PHENYLSULFONYL)PROPYL]MORPHOLINE-
4-CARBOXAMIDE
A2G6D0.73
51UD-phenylalanyl-N-(3-methylbenzyl)-
L-prolinamide
H,I2ZF00.71
NFTN-(2-AMINOETHYL)-N~2~-{(1S)-1-[4'-
(AMINOSULFONYL)BIPHENYL-4-YL]-2,2,2-
TRIFLUOROETHYL}-L-LEUCINAMIDE
A1VSN0.76
BSA2-(BENZOYLAMINO)ETHANESULFONIC ACIDA1YQS0.76
F6BN-(2,6-DIFLOURO-BENZYL)-4-SULFAMOYL-
BENZAMIDE
A1G480.78
F6BN-(2,6-DIFLOURO-BENZYL)-4-SULFAMOYL-
BENZAMIDE
A1G530.78
HYB[2-(2-METHYL-PROPANE-2-SULFONYLMETHYL)-
3-NAPHTHALEN-1-YL-PROPIONYL-VALINYL]-
PHENYLALANINOL
A1FMB0.72
OIRN-(3-PHENYL-2-SULFANYLPROPANOYL)PHENYLALANYLALANINEA1R1J0.75
IOA4-(AMINOSULFONYL)-N-[(2,5-DIFLUOROPHENYL)METHYL]-
BENZAMIDE
A1I9N0.78
4MC(Z)-N-(5-GUANIDINO-1-OXO-1-(5-PHENYL-
1-(PHENYLSULFONYL)PENT-1-EN-3-YLAMINO)PENTAN-
2-YL)-4-METHYLPIPERAZINE-1-CARBOXAMIDE
A,C2EFM0.77
F1HN-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamideA2ZJH0.72
G23(2R,4S)-2-[(R)-BENZYLCARBAMOYL-
PHENYLACETYL-METHYL]-5,5-DIMETHYL-
THIAZOLIDINE-4-CARBOXYLIC ACID
A1HTE0.73
44Ubeta-phenyl-D-phenylalanyl-N-propyl-
L-prolinamide
B,D3DA90.73
FSBN-(2-FLOURO-BENZYL)-4-SULFAMOYL-
BENZAMIDE
A1G450.78
FSBN-(2-FLOURO-BENZYL)-4-SULFAMOYL-
BENZAMIDE
A1G1D0.78
FFBN-(2,3,4,5,6-PENTAFLOURO-BENZYL)-
4-SULFAMOYL-BENZAMIDE
A1G4J0.77
FFBN-(2,3,4,5,6-PENTAFLOURO-BENZYL)-
4-SULFAMOYL-BENZAMIDE
A1G540.77
EG2AMINODI(ETHYLOXY)ETHYLAMINOCARBONYLBENZENESULFONAMIDEA1CNX0.73
EG3PHENYLALANYLAMINODI(ETHYLOXY)ETHYL BENZENESULFONAMIDEAMINOCARBONYLBENZENESULFONAMIDEA1CNY0.73
PNMOPEN FORM - PENICILLIN GA1GHP0.71
PNMOPEN FORM - PENICILLIN GA1PWC0.71
PNMOPEN FORM - PENICILLIN GA1IYQ0.71
PNMOPEN FORM - PENICILLIN GA1FQG0.71
PNMOPEN FORM - PENICILLIN GA,B,C,D2J8Y0.71
PNMOPEN FORM - PENICILLIN GA,B,C,D2JBF0.71
PNMOPEN FORM - PENICILLIN GA2EX80.71
53UD-phenylalanyl-N-benzyl-L-prolinamideH,I2ZFF0.71
SRBL-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C3VGC0.71
BAT4-(N-HYDROXYAMINO)-2R-ISOBUTYL-
2S-(2-THIENYLTHIOMETHYL)SUCCINYL-
L-PHENYLALANINE-N-METHYLAMIDE
A1JK30.75
BAT4-(N-HYDROXYAMINO)-2R-ISOBUTYL-
2S-(2-THIENYLTHIOMETHYL)SUCCINYL-
L-PHENYLALANINE-N-METHYLAMIDE
A1MMB0.75
BAT4-(N-HYDROXYAMINO)-2R-ISOBUTYL-
2S-(2-THIENYLTHIOMETHYL)SUCCINYL-
L-PHENYLALANINE-N-METHYLAMIDE
A2RJQ0.75
BAT4-(N-HYDROXYAMINO)-2R-ISOBUTYL-
2S-(2-THIENYLTHIOMETHYL)SUCCINYL-
L-PHENYLALANINE-N-METHYLAMIDE
A1RM80.75
BAT4-(N-HYDROXYAMINO)-2R-ISOBUTYL-
2S-(2-THIENYLTHIOMETHYL)SUCCINYL-
L-PHENYLALANINE-N-METHYLAMIDE
A,B2J830.75
BAT4-(N-HYDROXYAMINO)-2R-ISOBUTYL-
2S-(2-THIENYLTHIOMETHYL)SUCCINYL-
L-PHENYLALANINE-N-METHYLAMIDE
A,B1DTH0.75
TST4-METHYL-2-{[4-(TOLUENE-4-SULFONYL)-
THIOMORPHOLINE-3-CARBONYL]-AMINO}-
PENTANOIC ACID
A1J4I0.75
NOQ(1R,2R)-N-(2-AMINOETHYL)-2-{[(4-
METHOXYPHENYL)SULFONYL]METHYL}CYCLOHEXANECARBOXAMIDE
A2F7D0.72
G4G4,4'-{(3S,4S)-PYRROLIDINE-3,4-DIYLBIS[(BENZYLIMINO)SULFONYL]}DIBENZAMIDEB2R380.7
G4G4,4'-{(3S,4S)-PYRROLIDINE-3,4-DIYLBIS[(BENZYLIMINO)SULFONYL]}DIBENZAMIDEA,B2PWR0.7
G4G4,4'-{(3S,4S)-PYRROLIDINE-3,4-DIYLBIS[(BENZYLIMINO)SULFONYL]}DIBENZAMIDEB2R3T0.7
INV4-(AMINOSULFONYL)-N-[(4-FLUOROPHENYL)METHYL]-
BENZAMIDE
A1I9L0.78
SOXN-[(2S,4S,6R)-2-(DIHYDROXYMETHYL)-
4-HYDROXY-3,3-DIMETHYL-7-OXO-4LAMBDA~4~-
THIA-1-AZABICYCLO[3.2.0]HEPT-6-
YL]-2-PHENYLACETAMIDE
B1GM80.7
SOXN-[(2S,4S,6R)-2-(DIHYDROXYMETHYL)-
4-HYDROXY-3,3-DIMETHYL-7-OXO-4LAMBDA~4~-
THIA-1-AZABICYCLO[3.2.0]HEPT-6-
YL]-2-PHENYLACETAMIDE
A,B1GM90.7
EG1AMINOMETHYLENECARBONYLAMINODI(ETHYLOXY)ETHYLAMINOCARBONYLBENZENESULFONAMIDEA1CNW0.71
STB4-SULFONAMIDE-[4-(THIOMETHYLAMINOBUTANE)]BENZAMIDEA1OKN0.79
VG3N-[(1S,2R)-1-benzyl-3-{[(1S)-2-
(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-
2-hydroxypropyl]-3-(pentylsulfonyl)benzamide
A2VIY0.74
SM4(1R)-1-(2-THIOPHEN-2-YL-ACETYLAMINO)-
1-(3-(2-CARBOXYVINYL)-PHENYL) METHYLBORONIC ACID
A,B2RCX0.73
INW4-(AMINOSULFONYL)-N-[(2,4-DIFLUOROPHENYL)METHYL]-
BENZAMIDE
A1I9M0.78
OAP4-(S)-[(1-OXO-7-PHENYLHEPTYL)AMINO]-
5-[4-(PHENYLMETHYL)PHENYLTHIO]PENTANOIC ACID
A,B,C,D,E,F1KVO0.8
C71N-[4-(AMINOMETHYL)-1,1-DIOXIDOTETRAHYDRO-
2H-THIOPYRAN-4-YL]-3-(1-METHYLCYCLOPENTYL)-
N~2~-[(1E)-N-(PHENYLSULFONYL)ETHANIMIDOYL]-
L-ALANINAMIDE
A,B2FRQ0.74
SRDD-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C4VGC0.71
YDP(3S,4S),-3,4-Bis-[(4-carbamoyl-
benzensulfonyl)-(3-methyl-but-2-
enyl)-amino]-pyrrolidine
A2ZGA0.75
YDP(3S,4S),-3,4-Bis-[(4-carbamoyl-
benzensulfonyl)-(3-methyl-but-2-
enyl)-amino]-pyrrolidine
A,B3CKT0.75
TIO(2-MERCAPTOMETHYL-3-PHENYL-PROPIONYL)-
GLYCINE
E1ZDP0.72
F2BN-(2,3-DIFLUORO-BENZYL)-4-SULFAMOYL-
BENZAMIDE
A1G460.78
F2BN-(2,3-DIFLUORO-BENZYL)-4-SULFAMOYL-
BENZAMIDE
A1G520.78
IZDISOTHIAZOLIDINONE ANALOGA2CM70.8