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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00621361

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
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
3CCN-[(2R)-5-(aminosulfonyl)-2,3-dihydro-
1H-inden-2-yl]-2-propylpentanamide		A2QO80.71
C4PN-[(1R)-2-(BENZYLSULFANYL)-1-FORMYLETHYL]-
N-(MORPHOLIN-4-YLCARBONYL)-L-PHENYLALANINAMIDE		A1NQC0.75
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,C2EFM0.73
SUB3-PHENYL-2-{[4-(TOLUENE-4-SULFONYL)-
THIOMORPHOLINE-3-CARBONYL]-AMINO}-
PROPIONIC ACID ETHYL ESTER		A1J4H0.72
53UD-phenylalanyl-N-benzyl-L-prolinamideH,I2ZFF0.72
SRBL-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C3VGC0.72
D1RNALPHA-[(4-METHYLPIPERAZIN-1-YL)CARBONYL]-
N-{(1S)-3-PHENYL-1-[2-(PHENYLSULFONYL)ETHYL]PROPYL}-
L-PHENYLALANINAMIDE		A2P7U0.79
D1RNALPHA-[(4-METHYLPIPERAZIN-1-YL)CARBONYL]-
N-{(1S)-3-PHENYL-1-[2-(PHENYLSULFONYL)ETHYL]PROPYL}-
L-PHENYLALANINAMIDE		A,C2OZ20.79
VG3N-[(1S,2R)-1-benzyl-3-{[(1S)-2-
(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-
2-hydroxypropyl]-3-(pentylsulfonyl)benzamide		A2VIY0.71
MQQN-[(1S)-1-[({(1S)-3-PHENYL-1-[2-
(PHENYLSULFONYL)ETHYL]PROPYL}AMINO)CARBONYL]-
3-(PHENYLSULFONYL)PROPYL]MORPHOLINE-
4-CARBOXAMIDE		A2G6D0.72
FFBN-(2,3,4,5,6-PENTAFLOURO-BENZYL)-
4-SULFAMOYL-BENZAMIDE		A1G4J0.71
FFBN-(2,3,4,5,6-PENTAFLOURO-BENZYL)-
4-SULFAMOYL-BENZAMIDE		A1G540.71
IOE4-(AMINOSULFONYL)-N-[(2,4,6-TRIFLUOROPHENYL)METHYL]-
BENZAMIDE		A1I9P0.72
STB4-SULFONAMIDE-[4-(THIOMETHYLAMINOBUTANE)]BENZAMIDEA1OKN0.73
IOC4-(AMINOSULFONYL)-N-[(2,3,4-TRIFLUOROPHENYL)METHYL]-
BENZAMIDE		A1I9O0.72
T29TRI166 (BIFUNCTIONAL BORONATE INHIBITOR)H1A3B0.72
TI1[2(R,S)-2-SULFANYLHEPTANOYL]-PHE-
ALA		A1R1I0.72
TI1[2(R,S)-2-SULFANYLHEPTANOYL]-PHE-
ALA		A1QF10.72
BR46-PHENYL-4(R)-(7-PHENYL-HEPTANOYLAMINO)-
HEXANOIC ACID		A1KQU0.71
TINA,B1N940.71
IOA4-(AMINOSULFONYL)-N-[(2,5-DIFLUOROPHENYL)METHYL]-
BENZAMIDE		A1I9N0.72
F20N-BENZOYL-L-PHENYLALANYL-4-[(5S)-
1,1-DIOXIDO-3-OXOISOTHIAZOLIDIN-
5-YL]-L-PHENYLALANINAMIDE		A2CMA0.72
SRDD-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C4VGC0.72
F6BN-(2,6-DIFLOURO-BENZYL)-4-SULFAMOYL-
BENZAMIDE		A1G480.72
F6BN-(2,6-DIFLOURO-BENZYL)-4-SULFAMOYL-
BENZAMIDE		A1G530.72
IZDISOTHIAZOLIDINONE ANALOGA2CM70.74
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
OIRN-(3-PHENYL-2-SULFANYLPROPANOYL)PHENYLALANYLALANINEA1R1J0.74
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide		A,B3CNT0.71
IOF4-(AMINOSULFONYL)-N-[(3,4,5-TRIFLUOROPHENYL)METHYL]-
BENZAMIDE		A1I9Q0.72
OAP4-(S)-[(1-OXO-7-PHENYLHEPTYL)AMINO]-
5-[4-(PHENYLMETHYL)PHENYLTHIO]PENTANOIC ACID		A,B,C,D,E,F1KVO0.84
SM3(1R)-1-(2-THIENYLACETYLAMINO)-1-
PHENYLMETHYLBORONIC ACID		A,B1PI40.81
SM3(1R)-1-(2-THIENYLACETYLAMINO)-1-
PHENYLMETHYLBORONIC ACID		A,B2FFY0.81
SM3(1R)-1-(2-THIENYLACETYLAMINO)-1-
PHENYLMETHYLBORONIC ACID		A,B1MY80.81
BSBN-BENZYL-4-SULFAMOYL-BENZAMIDEA1G4O0.74
G23(2R,4S)-2-[(R)-BENZYLCARBAMOYL-
PHENYLACETYL-METHYL]-5,5-DIMETHYL-
THIAZOLIDINE-4-CARBOXYLIC ACID		A1HTE0.73
FAF2-ACETYLAMINO-4-METHYL-PENTANOIC ACID (1-
FORMYL-2-PHENYL-ETHYL)-AMIDE		B,C1GGD0.71
4PIN-(4-METHYLBENZOYL)-4-BENZYLPIPERIDINEA,B2NSD0.7
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
LPF1,1,1-TRIFLUORO-3-((N-ACETYL)-L-
LEUCYLAMIDO)-4-PHENYL-BUTAN-2-ONE(N-
ACETYL-L-LEUCYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)		G7GCH0.7
TIO(2-MERCAPTOMETHYL-3-PHENYL-PROPIONYL)-
GLYCINE		E1ZDP0.73
C1PN~2~-(MORPHOLIN-4-YLCARBONYL)-N~1~-
[(1S,2E)-1-(2-PHENYLETHYL)-3-(PHENYLSULFONYL)PROP-
2-ENYL]-D-LEUCINAMIDE		A,B,C,D3BWK0.72
C1PN~2~-(MORPHOLIN-4-YLCARBONYL)-N~1~-
[(1S,2E)-1-(2-PHENYLETHYL)-3-(PHENYLSULFONYL)PROP-
2-ENYL]-D-LEUCINAMIDE		A,B1NPZ0.72
DFJN-({4-[DIFLUORO(PHOSPHONO)METHYL]PHENYL}ACETYL)-
L-PHENYLALANYL-4-[DIFLUORO(PHOSPHONO)METHYL]-
L-PHENYLALANINAMIDE		A2CNE0.71
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide		A,B3CNS0.71
SAB4-SULFONAMIDE-[1-(4-AMINOBUTANE)]BENZAMIDEA1OKM0.73
G262-(BENZYLCARBAMOYL-PHENYLACETYLAMINO-
METHYL)-5,5-DIMETHYL-THIAZOLIDINE-
4-CARBOXYLIC ACID (HYDROXYMETHYL-
2-PHENYLETHYL)AMIDE		A,B1HTF0.72
VS13-[[N-[MORPHOLIN-N-YL]-CARBONYL]-
PHENYLALANINYL-AMINO]-5- PHENYL-
PENTANE-1-SULFONYLBENZENE		A2P860.76
VS13-[[N-[MORPHOLIN-N-YL]-CARBONYL]-
PHENYLALANINYL-AMINO]-5- PHENYL-
PENTANE-1-SULFONYLBENZENE		A,B,C1F290.76
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
JNH1-[2-(S)-AMINO-3-BIPHENYL-4-YL-
PROPIONYL]-PYRROLIDINE-2-(S)-CARBONITRILE		I,J2AJL0.74
FSBN-(2-FLOURO-BENZYL)-4-SULFAMOYL-
BENZAMIDE		A1G450.72
FSBN-(2-FLOURO-BENZYL)-4-SULFAMOYL-
BENZAMIDE		A1G1D0.72
F1HN-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamideA2ZJH0.74
FPA1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDEE,I4EST0.72
F2BN-(2,3-DIFLUORO-BENZYL)-4-SULFAMOYL-
BENZAMIDE		A1G460.72
F2BN-(2,3-DIFLUORO-BENZYL)-4-SULFAMOYL-
BENZAMIDE		A1G520.72
AO1(2S,3R)-3-AMINO-2-HYDROXY-5-(ETHYLSULFANYL)PENTANOYL-
((S)-(-)-(1-NAPHTHYL)ETHYL)AMIDE		A1R5G0.7
BSA2-(BENZOYLAMINO)ETHANESULFONIC ACIDA1YQS0.72
CTBN-2-THIOPHEN-2-YL-ACETAMIDE BORONIC ACIDA,B1FSW0.71
51UD-phenylalanyl-N-(3-methylbenzyl)-
L-prolinamide		H,I2ZF00.7
INW4-(AMINOSULFONYL)-N-[(2,4-DIFLUOROPHENYL)METHYL]-
BENZAMIDE		A1I9M0.72
MYP4-MORPHOLIN-4-YL-PIPERIDINE-1-CARBOXYLIC ACID [1-
(3-BENZENESULFONYL-1-PROPYL-ALLYLCARBAMOYL)-
2-PHENYLETHYL]-AMIDE		A,B1M6D0.72
37UD-phenylalanyl-N-(3-fluorobenzyl)-
L-prolinamide		H,I2ZDV0.7
44Ubeta-phenyl-D-phenylalanyl-N-propyl-
L-prolinamide		B,D3DA90.72
MINMETHYL-PHE-PRO-AMINO-CYCLOHEXYLGLYCINEH,I1TOM0.71
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA,B2NMX0.73
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA2NNS0.73
INV4-(AMINOSULFONYL)-N-[(4-FLUOROPHENYL)METHYL]-
BENZAMIDE		A1I9L0.72
SM4(1R)-1-(2-THIOPHEN-2-YL-ACETYLAMINO)-
1-(3-(2-CARBOXYVINYL)-PHENYL) METHYLBORONIC ACID		A,B2RCX0.74