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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00602922

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BHOBENZHYDROXAMIC ACIDA,B1GX20.73
BHOBENZHYDROXAMIC ACIDA1HSR0.73
BHOBENZHYDROXAMIC ACIDA,B2ATJ0.73
BHOBENZHYDROXAMIC ACIDA,B4ATJ0.73
BHOBENZHYDROXAMIC ACIDA,B3ATJ0.73
BHOBENZHYDROXAMIC ACIDA3GCK0.73
BHOBENZHYDROXAMIC ACIDA,B,C,D,E,F,
G,H		2BOY0.73
6756-[(Z)-AMINO(IMINO)METHYL]-N-PHENYL-
2-NAPHTHAMIDE		A1OWE0.74
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
FPBN-({(2S)-1-[(3R)-3-AMINO-4-(2-FLUOROPHENYL)BUTANOYL]PYRROLIDIN-
2-YL}METHYL)BENZAMIDE		A,B2BUB0.78
FSBN-(2-FLOURO-BENZYL)-4-SULFAMOYL-
BENZAMIDE		A1G450.71
FSBN-(2-FLOURO-BENZYL)-4-SULFAMOYL-
BENZAMIDE		A1G1D0.71
LEG1-(4-HEXYLPHENYL)PROP-2-EN-1-ONEA,B2PIN0.71
BFBN-[(1S)-1-(AMINOCARBONYL)-4-(ETHANIMIDOYLAMINO)BUTYL]BENZAMIDEA2DW50.72
TTT5-amino-2-methyl-N-[(1R)-1-naphthalen-
1-ylethyl]benzamide		A3E9S0.76
4PIN-(4-METHYLBENZOYL)-4-BENZYLPIPERIDINEA,B2NSD0.81
ICXmethyl N-[(5Z)-6-({[4-(4-iodobenzyl)phenyl]carbonyl}amino)hex-
5-enoyl]glycinate		A,C,D,E,G,P,
Q,R,W		3CWB0.76
U1N4-[(3R)-3-{[2-(4-FLUOROPHENYL)-
2-OXOETHYL]AMINO}BUTYL]BENZAMIDE		A,B2OGZ0.85
UNH({1-[1-CARBAMOYL-PHENYL-METHYL)-
CARBAMOYL]-METHYL}-AMINOOXALYL)-
BUTYLCARBAMOYL)-3-METHYL-BUTYLCARBAMOYL)-
CYCLOHEXYL-METHYL)-CARBAMIC ACID ISOBUTYL ESTER		A,C2A4G0.7
P34N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-
5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE		A,B3GEY0.73
P34N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-
5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE		A3CE00.73
P34N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-
5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE		A,B1XK90.73
P34N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-
5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE		A2Q6M0.73
P34N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-
5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE		A,B,C,D,E,F1ZM90.73
LPF1,1,1-TRIFLUORO-3-((N-ACETYL)-L-
LEUCYLAMIDO)-4-PHENYL-BUTAN-2-ONE(N-
ACETYL-L-LEUCYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)		G7GCH0.71
SRBL-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C3VGC0.72
008(S)-2-[(R)-3-AMINO-4-(2-FLUORO-
PHENYL)-BUTYRYL]-1,2,3,4-TETRAHYDRO-
ISOQUINOLINE-3-CARBOXYLIC ACID AMIDE		A,B,C,D2BUC0.71
NKKN~2~-(naphthalen-2-ylcarbonyl)-
L-lysyl-N-[(1S)-4-carbamimidamido-
1-formylbutyl]-L-lysinamide		B,D3E900.74
KHA1-(4-{[(2-HYDROXYETHYL)AMINO]CARBONYL}BENZYL)-
1-METHYLPIPERIDINIUM		H,L,X,Y1UWG0.77
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide		A,B3CNT0.8
F20N-BENZOYL-L-PHENYLALANYL-4-[(5S)-
1,1-DIOXIDO-3-OXOISOTHIAZOLIDIN-
5-YL]-L-PHENYLALANINAMIDE		A2CMA0.73
PQNPHYLLOQUINONEA,B,C,F,I,J,
K,L,M,X		1JB00.71
PQNPHYLLOQUINONE1,2,3,4,A,B,
C,F,G,H,I,J,
K,L		2O010.71
PQNPHYLLOQUINONEA,B,C,F,K,L2PPS0.71
PQNPHYLLOQUINONEA,B,C,F,K,L1C510.71
PQNPHYLLOQUINONE0,1,2,3,4,5,
6,7,8,9,A,B,
C,F,G,H,J,K,
L,P,Q,R,U,V,
W,Z		1QZV0.71
BJP(1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACIDA1ERO0.72
INV4-(AMINOSULFONYL)-N-[(4-FLUOROPHENYL)METHYL]-
BENZAMIDE		A1I9L0.71
C164-(4-methyl-1,3-dioxo-1,3-dihydro-
2H-isoindol-2-yl)benzonitrile		A3BNZ0.71
SRDD-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C4VGC0.72
4PG1-[4-(2-oxo-2-phenylethyl)phenyl]guanidineU2R2W0.72
53UD-phenylalanyl-N-benzyl-L-prolinamideH,I2ZFF0.74
BPO3-[(Z)-AMINO(IMINO)METHYL]-N-[2-
(4-BENZOYL-1-PIPERIDINYL)-2-OXO-
1-PHENYLETHYL]BENZAMIDE		A1EB20.73
INW4-(AMINOSULFONYL)-N-[(2,4-DIFLUOROPHENYL)METHYL]-
BENZAMIDE		A1I9M0.71
RPRA1F0U0.73
RPRA1EZQ0.73
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
RXAisoquinoline-1,3,4(2H)-trioneA,B,C,D3DEH0.79
12BBENZO[CD]INDOL-2(1H)-ONEA,B2F670.74
BZQDIPHENYLMETHANONEA,B1GT50.71
BZQDIPHENYLMETHANONEA,B1DZP0.71
F2BN-(2,3-DIFLUORO-BENZYL)-4-SULFAMOYL-
BENZAMIDE		A1G460.71
F2BN-(2,3-DIFLUORO-BENZYL)-4-SULFAMOYL-
BENZAMIDE		A1G520.71
BM1(R)-(+)9B-(3-METHYL)PHENYL-2,3-
DIHYDROTHIAZOLO[2,3-A]ISOINDOL-
5(9BH)-ONE		A1C0T0.71
KU84-[3-(1,4-diazepan-1-ylcarbonyl)-
4-fluorobenzyl]phthalazin-1(2H)-
one		A3C490.7
44Ubeta-phenyl-D-phenylalanyl-N-propyl-
L-prolinamide		B,D3DA90.73
IOC4-(AMINOSULFONYL)-N-[(2,3,4-TRIFLUOROPHENYL)METHYL]-
BENZAMIDE		A1I9O0.71
2396-[(Z)-AMINO(IMINO)METHYL]-N-[4-
(AMINOMETHYL)PHENYL]-2-NAPHTHAMIDE		A1OWH0.72
IOE4-(AMINOSULFONYL)-N-[(2,4,6-TRIFLUOROPHENYL)METHYL]-
BENZAMIDE		A1I9P0.71
HBC(2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT-
2-YL)-PHENYL-METHANONE		H1JGU0.79
BVATRIHYDROXY[(N-HYDROXYBENZAMIDATO)OXO]VANADATEB,C2P8O0.71
JNH1-[2-(S)-AMINO-3-BIPHENYL-4-YL-
PROPIONYL]-PYRROLIDINE-2-(S)-CARBONITRILE		I,J2AJL0.73
MQ9MENAQUINONE-9C,H,L,M3D380.71
MQ9MENAQUINONE-9C,H,L,M1VRN0.71
MQ9MENAQUINONE-9C,H,L,M2I5N0.71
MQ9MENAQUINONE-9C,H,L,M,U1DXR0.71
KAFN-{(5S)-4,4-dihydroxy-6-phenyl-
5-[(phenylcarbonyl)amino]hexanoyl}-
L-phenylalanine		A3BKK0.72
E043-CARBOXAMIDO-1,3,5(10)-ESTRATRIEN-
17(R)-SPIRO-2'(5',5'-DIMETHYL-6'OXO)TETRAHYDROPYRAN		A1ZQ50.7
GK5N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)-
6-methylbiphenyl-3,4'-dicarboxamide		A3D7Z0.87
6054'-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]biphenyl-
3-carboxamide		A,B3D4L0.79
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,B3EYL0.7
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
OHH2-[3-({METHYL[1-(2-NAPHTHOYL)PIPERIDIN-
4-YL]AMINO}CARBONYL)-2-NAPHTHYL]-
1-(1-NAPHTHYL)-2-OXOETHYLPHOSPHONIC ACID		A1T310.72
OHH2-[3-({METHYL[1-(2-NAPHTHOYL)PIPERIDIN-
4-YL]AMINO}CARBONYL)-2-NAPHTHYL]-
1-(1-NAPHTHYL)-2-OXOETHYLPHOSPHONIC ACID		A1T320.72
9TA1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)-
ETHYLAMINO]-ANTHRAQUINONE		A,B1FDG0.71
TSNTRICHOSTATIN AA,B1T640.73
TSNTRICHOSTATIN AA,B1C3R0.73
TSNTRICHOSTATIN AA,B,C3F0R0.73
TSNTRICHOSTATIN AA,B,C3C100.73
KR2(2R)-4-(2-BENZOYL-1,2-DIAZEPAN-
1-YL)-4-OXO-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-
2-AMINE		A,B2OLE0.76
DHQ3,4-DIHYDRO-5-METHYL-ISOQUINOLINONEA1PAX0.82
HIN(2S) N-ACETYL-L-ALANYL-ALPHAL-PHENYLALANYL-
CHLOROETHYLKETONE		B2GMT0.7
TINA,B1N940.74
FFBN-(2,3,4,5,6-PENTAFLOURO-BENZYL)-
4-SULFAMOYL-BENZAMIDE		A1G4J0.7
FFBN-(2,3,4,5,6-PENTAFLOURO-BENZYL)-
4-SULFAMOYL-BENZAMIDE		A1G540.7
998N-METHYLALANYL-3-METHYLVALYL-N-
(1,2,3,4-TETRAHYDRONAPHTHALEN-1-
YL)PROLINAMIDE		A1TFQ0.71
APF1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-
2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)		B,C1GG60.72
APF1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-
2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)		G6GCH0.72
MQ7MENAQUINONE-7C,H,L,M1PRC0.71
MQ7MENAQUINONE-7A,B,D,M,N,P2B760.71
MQ7MENAQUINONE-7C,H,L,M5PRC0.71
MQ7MENAQUINONE-7C,H,L,M7PRC0.71
MQ7MENAQUINONE-7C,H,L,M2PRC0.71
MQ7MENAQUINONE-7C,H,L,M1R2C0.71
MQ7MENAQUINONE-7A,B,C,E,F,G2VPW0.71
MQ7MENAQUINONE-7C,H,L,M3PRC0.71
MQ7MENAQUINONE-7A,B,D,M,N,O,P1L0V0.71
MQ7MENAQUINONE-7C,H,L,M2JBL0.71
MQ7MENAQUINONE-7C,H,L,M6PRC0.71
I062-PHENETHYL-2,3-DIHYDRO-PHTHALAZINE-
1,4-DIONE		D,E,F,G,H,L,
M,N,O,P		1EEF0.76
NAMNAM NAPTHYLAMINOALANINEA,B,I,J3FIV0.7
NAMNAM NAPTHYLAMINOALANINEA,B,I,J2FIV0.7
AN91,5-BIS[3-(DIETHYLAMINO)PROPIONAMIDO]ANTHRACENE-
9,10-DIONE		A,B1XCU0.74
SAB4-SULFONAMIDE-[1-(4-AMINOBUTANE)]BENZAMIDEA1OKM0.72
CRIA,B1VKG0.76
R01(4'-{[ALLYL(METHYL)AMINO]METHYL}-
1,1'-BIPHENYL-4-YL)(4-BROMOPHENYL)METHANONE		A,B,C1H350.76
P214-chloro-N-(3-methoxypropyl)-N-
[(3S)-1-(2-phenylethyl)piperidin-
3-yl]benzamide		A2VD40.7
BAGN-[(E)-2-AMINO-1-(3-{[AMINO(IMINO)METHYL]AMINO}PROPYL)-
2-HYDROXYVINYL]BENZAMIDE		A1WDA0.72
F2IN'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-
2-HYDROXY-3-[(3-IODOBENZYL)AMINO]PROPYL}-
5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE		A2IQG0.7
37UD-phenylalanyl-N-(3-fluorobenzyl)-
L-prolinamide		H,I2ZDV0.72
BSA2-(BENZOYLAMINO)ETHANESULFONIC ACIDA1YQS0.72
IOF4-(AMINOSULFONYL)-N-[(3,4,5-TRIFLUOROPHENYL)METHYL]-
BENZAMIDE		A1I9Q0.71
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B,C,D1SN90.72
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B1SNE0.72
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B,C,D1SNA0.72
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B1XOF0.72
FRPN1-((2S,3S,5R)-3-AMINO-6-(4-FLUOROPHENYLAMINO)-
5-METHYL-6-OXO-1-PHENYLHEXAN-2-
YL)-N3,N3-DIPROPYLISOPHTHALAMIDE		A,B,C2FDP0.7
ISNISATINA,B1OJA0.71
ISNISATINA,B2BK50.71
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
4AN6-AMINO-BENZO[DE]ISOQUINOLINE-1,3-
DIONE		A2PAX0.75
STB4-SULFONAMIDE-[4-(THIOMETHYLAMINOBUTANE)]BENZAMIDEA1OKN0.71
MNO(3S)-N-METHANESULFONYL-3-({1-[N-
(2-NAPHTOYL)-L-VALYL]-L-PROLYL}AMINO)-
4-OXOBUTANAMIDE		A1BMQ0.71
MQ8MENAQUINONE 8C,H,L,M1EYS0.71
PBFPARA-(BENZOYL)-PHENYLALANINEA2FR90.72
PBFPARA-(BENZOYL)-PHENYLALANINEA,B1EEN0.72
PBFPARA-(BENZOYL)-PHENYLALANINEA2HGZ0.72
PBFPARA-(BENZOYL)-PHENYLALANINEA2FRB0.72
IOA4-(AMINOSULFONYL)-N-[(2,5-DIFLUOROPHENYL)METHYL]-
BENZAMIDE		A1I9N0.71
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide		A,B3CNS0.8
S2DN-BENZOYL-D-ALANINEA,B2JCI0.74