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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00465880

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
M1N(1R)-3-METHYL-1-{[N-(MORPHOLIN-
4-YLCARBONYL)-3-(1-NAPHTHYL)-D-
ALANYL]AMINO}BUTYLBORONIC ACID
2,C,E,G,H,J,
L,N,P,R,T,V,
X,Z
2FHH0.71
I062-PHENETHYL-2,3-DIHYDRO-PHTHALAZINE-
1,4-DIONE
D,E,F,G,H,L,
M,N,O,P
1EEF0.77
CRIA,B1VKG0.75
BI6(3S,6S,7Z,10AS)-N-(DIPHENYLMETHYL)-
6-{[(2S)-2-(METHYLIDENEAMINO)BUTANOYL]AMINO}-
5-OXO-1,2,3,5,6,9,10,10A-OCTAHYDROPYRROLO[1,2-
A]AZOCINE-3-CARBOXAMIDE
A2JK70.71
GVR(2R)-N-hydroxy-3-naphthalen-2-yl-
2-[(naphthalen-2-ylsulfonyl)amino]propanamide
A,B,C2VES0.7
3036-[(Z)-AMINO(IMINO)METHYL]-N-(1-
ISOPROPYL-1,2,3,4-TETRAHYDROISOQUINOLIN-
7-YL)-2-NAPHTHAMIDE
A1OWK0.77
MNO(3S)-N-METHANESULFONYL-3-({1-[N-
(2-NAPHTOYL)-L-VALYL]-L-PROLYL}AMINO)-
4-OXOBUTANAMIDE
A1BMQ0.74
RUP(R)-2-(3-ADAMANTAN-1-YL-UREIDO)-
3-(3-CARBAMIMIDOYL-PHENYL)-N-PHENETHYL-
PROPIONAMIDE
A1KYE0.7
TTT5-amino-2-methyl-N-[(1R)-1-naphthalen-
1-ylethyl]benzamide
A3E9S0.87
R01(4'-{[ALLYL(METHYL)AMINO]METHYL}-
1,1'-BIPHENYL-4-YL)(4-BROMOPHENYL)METHANONE
A,B,C1H350.73
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNT0.82
FD3N-ALPHA-(2-NAPHTHYLSULFONYL)-3-
AMIDINO-L-PHENYLALANINE PIPERAZIDE
A1K1L0.72
KAFN-{(5S)-4,4-dihydroxy-6-phenyl-
5-[(phenylcarbonyl)amino]hexanoyl}-
L-phenylalanine
A3BKK0.76
SRBL-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C3VGC0.77
DFJN-({4-[DIFLUORO(PHOSPHONO)METHYL]PHENYL}ACETYL)-
L-PHENYLALANYL-4-[DIFLUORO(PHOSPHONO)METHYL]-
L-PHENYLALANINAMIDE
A2CNE0.7
KR2(2R)-4-(2-BENZOYL-1,2-DIAZEPAN-
1-YL)-4-OXO-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-
2-AMINE
A,B2OLE0.78
KU84-[3-(1,4-diazepan-1-ylcarbonyl)-
4-fluorobenzyl]phthalazin-1(2H)-
one
A3C490.73
BPO3-[(Z)-AMINO(IMINO)METHYL]-N-[2-
(4-BENZOYL-1-PIPERIDINYL)-2-OXO-
1-PHENYLETHYL]BENZAMIDE
A1EB20.77
ARQBENZOYLAMINO-BENZYL-METHYL-[2-HYDROXY-
3-[1-METHYL-ETHYL-OXY-N-FORMAMIDYL]-
4-PHENYL-BUTYL]-AMMONIUM
A3AID0.7
22UD-phenylalanyl-N-(3-chlorobenzyl)-
L-prolinamide
H,I2ZC90.7
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
LP14-[2-(2-ACETYLAMINO-3-NAPHTALEN-
1-YL-PROPIONYLAMINO)-4-METHYL-PENTANOYLAMINO]-
3-HYDROXY-6-METHYL-HEPTANOIC ACID [1-
(1-CARBAMOYL-2-NAPHTHALEN-1-YL-
ETHYLCARBAMOYL)-PROPYL]-AMIDE
A4FIV0.73
LP14-[2-(2-ACETYLAMINO-3-NAPHTALEN-
1-YL-PROPIONYLAMINO)-4-METHYL-PENTANOYLAMINO]-
3-HYDROXY-6-METHYL-HEPTANOIC ACID [1-
(1-CARBAMOYL-2-NAPHTHALEN-1-YL-
ETHYLCARBAMOYL)-PROPYL]-AMIDE
A1ODY0.73
LP14-[2-(2-ACETYLAMINO-3-NAPHTALEN-
1-YL-PROPIONYLAMINO)-4-METHYL-PENTANOYLAMINO]-
3-HYDROXY-6-METHYL-HEPTANOIC ACID [1-
(1-CARBAMOYL-2-NAPHTHALEN-1-YL-
ETHYLCARBAMOYL)-PROPYL]-AMIDE
A2FMB0.73
VACN,N-BIS(2-HYDROXY-1-INDANYL)-2,6-
DIPHENYLMETHYL-4-HYDROXY-1,7-HEPTANDIAMIDE
B4PHV0.7
F1HN-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamideA2ZJH0.71
1761-(2-AMINO-3,3-DIPHENYL-PROPIONYL)-
PYRROLIDINE-3-CARBOXYLIC ACID 2,5-
DICHLORO-BENZYLAMIDE
A,B1TA20.72
FA4SM-25453A,B2D1O0.71
FA4SM-25453A,B2D1N0.71
BJP(1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACIDA1ERO0.72
N4T(1S)-1-CYCLOPROPYL-2-[(2S)-4-(2,5-
DIFLUOROPHENYL)-2-PHENYL-2,5-DIHYDRO-
1H-PYRROL-1-YL]-2-OXOETHANAMINE
A,B2FL20.71
RXAisoquinoline-1,3,4(2H)-trioneA,B,C,D3DEH0.71
23Ubeta-phenyl-D-phenylalanyl-N-(3-
chlorobenzyl)-L-prolinamide
H,I3DHK0.73
RCP(3R)-1'-(9-ANTHRYLCARBONYL)-3-(MORPHOLIN-
4-YLCARBONYL)-1,4'-BIPIPERIDINE
A,B,C1W2X0.77
RCP(3R)-1'-(9-ANTHRYLCARBONYL)-3-(MORPHOLIN-
4-YLCARBONYL)-1,4'-BIPIPERIDINE
A,B,C,D3FF60.77
P214-chloro-N-(3-methoxypropyl)-N-
[(3S)-1-(2-phenylethyl)piperidin-
3-yl]benzamide
A2VD40.71
998N-METHYLALANYL-3-METHYLVALYL-N-
(1,2,3,4-TETRAHYDRONAPHTHALEN-1-
YL)PROLINAMIDE
A1TFQ0.74
AO1(2S,3R)-3-AMINO-2-HYDROXY-5-(ETHYLSULFANYL)PENTANOYL-
((S)-(-)-(1-NAPHTHYL)ETHYL)AMIDE
A1R5G0.71
F20N-BENZOYL-L-PHENYLALANYL-4-[(5S)-
1,1-DIOXIDO-3-OXOISOTHIAZOLIDIN-
5-YL]-L-PHENYLALANINAMIDE
A2CMA0.77
SRDD-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C4VGC0.77
MC2N2-(L-PHENYLALANYL)-N1-(NAPHTHALENYL)-
L-ARIGNINAMIDE
A1T9Y0.72
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
INW4-(AMINOSULFONYL)-N-[(2,4-DIFLUOROPHENYL)METHYL]-
BENZAMIDE
A1I9M0.71
4PIN-(4-METHYLBENZOYL)-4-BENZYLPIPERIDINEA,B2NSD0.8
822N-ACETYL-N-[1-(1,1'-BIPHENYL-4-
YLMETHYL)-2-OXOAZEPAN-3-YL]-4-[DIFLUORO(PHOSPHONO)METHYL]PHENYLALANINAMIDE
A1O470.72
BFBN-[(1S)-1-(AMINOCARBONYL)-4-(ETHANIMIDOYLAMINO)BUTYL]BENZAMIDEA2DW50.73
HOP(1S,2S,5S)2-(4-GLUTARIDYLBENZYL)-
5-PHENYL-1-CYCLOHEXANOL
H,L1D6V0.74
HOP(1S,2S,5S)2-(4-GLUTARIDYLBENZYL)-
5-PHENYL-1-CYCLOHEXANOL
A,B,H,L1AXS0.74
PZQPRAZIQUANTELA1GTB0.73
12BBENZO[CD]INDOL-2(1H)-ONEA,B2F670.74
GK5N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)-
6-methylbiphenyl-3,4'-dicarboxamide
A3D7Z0.85
BAGN-[(E)-2-AMINO-1-(3-{[AMINO(IMINO)METHYL]AMINO}PROPYL)-
2-HYDROXYVINYL]BENZAMIDE
A1WDA0.71
F2BN-(2,3-DIFLUORO-BENZYL)-4-SULFAMOYL-
BENZAMIDE
A1G460.71
F2BN-(2,3-DIFLUORO-BENZYL)-4-SULFAMOYL-
BENZAMIDE
A1G520.71
KHA1-(4-{[(2-HYDROXYETHYL)AMINO]CARBONYL}BENZYL)-
1-METHYLPIPERIDINIUM
H,L,X,Y1UWG0.74
TPI4-CARBAMOYL-4-{[6-(DIFLUORO-PHOSPHONO-
METHYL)-NAPHTHALENE-2-CARBONYL]-
AMINO}-BUTYRIC ACID
A1BZC0.74
33Ubeta-phenyl-D-phenylalanyl-N-(4-
carbamimidoylbenzyl)-L-prolinamide
H,I2ZO30.73
P34N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-
5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE
A,B3GEY0.72
P34N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-
5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE
A3CE00.72
P34N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-
5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE
A,B1XK90.72
P34N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-
5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE
A2Q6M0.72
P34N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-
5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE
A,B,C,D,E,F1ZM90.72
QN14,4'-[(3S,4S)-pyrrolidine-3,4-diylbis({[4-
(trifluoromethyl)benzyl]imino}sulfonyl)]dibenzamide
A,B2QNN0.72
JNH1-[2-(S)-AMINO-3-BIPHENYL-4-YL-
PROPIONYL]-PYRROLIDINE-2-(S)-CARBONITRILE
I,J2AJL0.75
NAMNAM NAPTHYLAMINOALANINEA,B,I,J3FIV0.77
NAMNAM NAPTHYLAMINOALANINEA,B,I,J2FIV0.77
44Ubeta-phenyl-D-phenylalanyl-N-propyl-
L-prolinamide
B,D3DA90.73
IOC4-(AMINOSULFONYL)-N-[(2,3,4-TRIFLUOROPHENYL)METHYL]-
BENZAMIDE
A1I9O0.71
TINA,B1N940.75
RPRA1F0U0.76
RPRA1EZQ0.76
IOE4-(AMINOSULFONYL)-N-[(2,4,6-TRIFLUOROPHENYL)METHYL]-
BENZAMIDE
A1I9P0.71
OHH2-[3-({METHYL[1-(2-NAPHTHOYL)PIPERIDIN-
4-YL]AMINO}CARBONYL)-2-NAPHTHYL]-
1-(1-NAPHTHYL)-2-OXOETHYLPHOSPHONIC ACID
A1T310.78
OHH2-[3-({METHYL[1-(2-NAPHTHOYL)PIPERIDIN-
4-YL]AMINO}CARBONYL)-2-NAPHTHYL]-
1-(1-NAPHTHYL)-2-OXOETHYLPHOSPHONIC ACID
A1T320.78
SBDD-NAPHTHYL-1-ACETAMIDO BORONIC ACID ALANINEA3VSB0.72
37UD-phenylalanyl-N-(3-fluorobenzyl)-
L-prolinamide
H,I2ZDV0.74
821A1O430.71
F2IN'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-
2-HYDROXY-3-[(3-IODOBENZYL)AMINO]PROPYL}-
5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE
A2IQG0.73
FRPN1-((2S,3S,5R)-3-AMINO-6-(4-FLUOROPHENYLAMINO)-
5-METHYL-6-OXO-1-PHENYLHEXAN-2-
YL)-N3,N3-DIPROPYLISOPHTHALAMIDE
A,B,C2FDP0.74
MIDN==ALPHA==(2-NAPHTHYL-SULFONYL-
GLYCYL)-PARA-AMIDINOPHENYL-ALANYL-
PIPERIDINE
H1DWD0.7
SMK(3S,6S,7R,9aS)-6-{[(2S)-2-aminobutanoyl]amino}-
7-(2-aminoethyl)-N-(diphenylmethyl)-
5-oxooctahydro-1H-pyrrolo[1,2-a]azepine-
3-carboxamide
A,B3EYL0.72
53UD-phenylalanyl-N-benzyl-L-prolinamideH,I2ZFF0.76
BSBN-BENZYL-4-SULFAMOYL-BENZAMIDEA1G4O0.73
GIN2-{[(6-OXO-1,6-DIHYDROPYRIDIN-3-
YL)METHYL]AMINO}-N-[4-PROPYL-3-
(TRIFLUOROMETHYL)PHENYL]BENZAMIDE
A,B2HZ00.72
FPBN-({(2S)-1-[(3R)-3-AMINO-4-(2-FLUOROPHENYL)BUTANOYL]PYRROLIDIN-
2-YL}METHYL)BENZAMIDE
A,B2BUB0.79
DHQ3,4-DIHYDRO-5-METHYL-ISOQUINOLINONEA1PAX0.83
SAB4-SULFONAMIDE-[1-(4-AMINOBUTANE)]BENZAMIDEA1OKM0.73
2396-[(Z)-AMINO(IMINO)METHYL]-N-[4-
(AMINOMETHYL)PHENYL]-2-NAPHTHAMIDE
A1OWH0.78
FSBN-(2-FLOURO-BENZYL)-4-SULFAMOYL-
BENZAMIDE
A1G450.72
FSBN-(2-FLOURO-BENZYL)-4-SULFAMOYL-
BENZAMIDE
A1G1D0.72
A17N-cyclopropyl-4-methyl-3-[1-(2-
methylphenyl)phthalazin-6-yl]benzamide
A,B,C,D3DS60.72
314N'-[(1S,2R)-2-[(2R,4S)-4-benzylpiperidin-
2-yl]-1-(3,5-difluorobenzyl)-2-
hydroxyethyl]-5-methyl-N,N-dipropylbenzene-
1,3-dicarboxamide
A,B3CIB0.74
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B,C,D1SN90.73
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B1SNE0.73
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B,C,D1SNA0.73
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B1XOF0.73
HBC(2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT-
2-YL)-PHENYL-METHANONE
H1JGU0.71
G4G4,4'-{(3S,4S)-PYRROLIDINE-3,4-DIYLBIS[(BENZYLIMINO)SULFONYL]}DIBENZAMIDEB2R380.74
G4G4,4'-{(3S,4S)-PYRROLIDINE-3,4-DIYLBIS[(BENZYLIMINO)SULFONYL]}DIBENZAMIDEA,B2PWR0.74
G4G4,4'-{(3S,4S)-PYRROLIDINE-3,4-DIYLBIS[(BENZYLIMINO)SULFONYL]}DIBENZAMIDEB2R3T0.74
ICXmethyl N-[(5Z)-6-({[4-(4-iodobenzyl)phenyl]carbonyl}amino)hex-
5-enoyl]glycinate
A,C,D,E,G,P,
Q,R,W
3CWB0.73
GA0GLYCYLALANYL-N-2-NAPHTHYL-L-PROLINEAMIDEA2DCM0.7
BR46-PHENYL-4(R)-(7-PHENYL-HEPTANOYLAMINO)-
HEXANOIC ACID
A1KQU0.7
S2DN-BENZOYL-D-ALANINEA,B2JCI0.75
SBLL-NAPHTHYL-1-ACETAMIDO BORONIC ACID ALANINEA1AV70.72
BSA2-(BENZOYLAMINO)ETHANESULFONIC ACIDA1YQS0.72
IOF4-(AMINOSULFONYL)-N-[(3,4,5-TRIFLUOROPHENYL)METHYL]-
BENZAMIDE
A1I9Q0.71
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNS0.82
876N-ACETYL-N-[1-(1,1'-BIPHENYL-4-
YLMETHYL)-2-OXOAZEPAN-3-YL]-3,4-
DIPHOSPHONOPHENYLALANINAMIDE
A1O4B0.73
008(S)-2-[(R)-3-AMINO-4-(2-FLUORO-
PHENYL)-BUTYRYL]-1,2,3,4-TETRAHYDRO-
ISOQUINOLINE-3-CARBOXYLIC ACID AMIDE
A,B,C,D2BUC0.75
51UD-phenylalanyl-N-(3-methylbenzyl)-
L-prolinamide
H,I2ZF00.77
F6BN-(2,6-DIFLOURO-BENZYL)-4-SULFAMOYL-
BENZAMIDE
A1G480.71
F6BN-(2,6-DIFLOURO-BENZYL)-4-SULFAMOYL-
BENZAMIDE
A1G530.71
ALRALRESTATINA1AZ10.75
AN91,5-BIS[3-(DIETHYLAMINO)PROPIONAMIDO]ANTHRACENE-
9,10-DIONE
A,B1XCU0.73
X23(3S,6S,7R,9aS)-6-{[(2S)-2-aminobutanoyl]amino}-
7-(aminomethyl)-N-(diphenylmethyl)-
5-oxooctahydro-1H-pyrrolo[1,2-a]azepine-
3-carboxamide
A,B,C,D,E,F,
G,H,I,J
3CM20.71
U1N4-[(3R)-3-{[2-(4-FLUOROPHENYL)-
2-OXOETHYL]AMINO}BUTYL]BENZAMIDE
A,B2OGZ0.79
4AN6-AMINO-BENZO[DE]ISOQUINOLINE-1,3-
DIONE
A2PAX0.75
STB4-SULFONAMIDE-[4-(THIOMETHYLAMINOBUTANE)]BENZAMIDEA1OKN0.71
8535-[2-ACETYLAMINO-2-(1-BIPHENYL-
4-YLMETHYL-2-OXO-AZEPAN-3-YLCARBAMOYL)-
ETHYL]-2-CARBOXYMETHYL-BENZOIC ACID
A1O480.72
NKKN~2~-(naphthalen-2-ylcarbonyl)-
L-lysyl-N-[(1S)-4-carbamimidamido-
1-formylbutyl]-L-lysinamide
B,D3E900.79
1556-[(Z)-AMINO(IMINO)METHYL]-N-(1-
ISOPROPYL-3,4-DIHYDROISOQUINOLIN-
7-YL)-2-NAPHTHAMIDE
A1OWJ0.73
4976-[AMINO(IMINO)METHYL]-N-[(4R)-
4-ETHYL-1,2,3,4-TETRAHYDROISOQUINOLIN-
6-YL]-2-NAPHTHAMIDE
A1OWD0.76
BM1(R)-(+)9B-(3-METHYL)PHENYL-2,3-
DIHYDROTHIAZOLO[2,3-A]ISOINDOL-
5(9BH)-ONE
A1C0T0.7
IOA4-(AMINOSULFONYL)-N-[(2,5-DIFLUOROPHENYL)METHYL]-
BENZAMIDE
A1I9N0.71
FD4N-ALPHA-(2-NAPHTHYLSULFONYL)-N(3-
AMIDINO-L-PHENYLALANINYL)-4-ACETYL-
PIPERAZINE
A1K1M0.71
DTF4-[(10S,14S,18S)-18-(2-AMINO-2-
OXOETHYL)-14-(1-NAPHTHYLMETHYL)-
8,17,20-TRIOXO-7,16,19-TRIAZASPIRO[5.14]ICOS-
11-EN-10-YL]BENZYLPHOSPHONIC ACID
A1X0N0.74
6054'-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]biphenyl-
3-carboxamide
A,B3D4L0.82
INV4-(AMINOSULFONYL)-N-[(4-FLUOROPHENYL)METHYL]-
BENZAMIDE
A1I9L0.72
6756-[(Z)-AMINO(IMINO)METHYL]-N-PHENYL-
2-NAPHTHAMIDE
A1OWE0.76