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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02693308

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
GK5N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)-
6-methylbiphenyl-3,4'-dicarboxamide		A3D7Z0.77
BHOBENZHYDROXAMIC ACIDA,B1GX20.85
BHOBENZHYDROXAMIC ACIDA1HSR0.85
BHOBENZHYDROXAMIC ACIDA,B2ATJ0.85
BHOBENZHYDROXAMIC ACIDA,B4ATJ0.85
BHOBENZHYDROXAMIC ACIDA,B3ATJ0.85
BHOBENZHYDROXAMIC ACIDA3GCK0.85
BHOBENZHYDROXAMIC ACIDA,B,C,D,E,F,
G,H		2BOY0.85
KR2(2R)-4-(2-BENZOYL-1,2-DIAZEPAN-
1-YL)-4-OXO-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-
2-AMINE		A,B2OLE0.72
MCG(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINEA,B1ISS0.7
4AN6-AMINO-BENZO[DE]ISOQUINOLINE-1,3-
DIONE		A2PAX0.71
MQ8MENAQUINONE 8C,H,L,M1EYS0.73
4PIN-(4-METHYLBENZOYL)-4-BENZYLPIPERIDINEA,B2NSD0.79
9TA1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)-
ETHYLAMINO]-ANTHRAQUINONE		A,B1FDG0.78
FPBN-({(2S)-1-[(3R)-3-AMINO-4-(2-FLUOROPHENYL)BUTANOYL]PYRROLIDIN-
2-YL}METHYL)BENZAMIDE		A,B2BUB0.72
2013-AMIDO-5-BIPHENYL-BENZOIC ACIDA2B0M0.74
3AB3-aminobenzamideA,B,C,D3GOY0.78
MQ9MENAQUINONE-9C,H,L,M3D380.73
MQ9MENAQUINONE-9C,H,L,M1VRN0.73
MQ9MENAQUINONE-9C,H,L,M2I5N0.73
MQ9MENAQUINONE-9C,H,L,M,U1DXR0.73
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.78
DMW2,3-DIMETHYL-1,4-NAPHTHOQUINONEA,B,C,D,E,F2BS40.75
INW4-(AMINOSULFONYL)-N-[(2,4-DIFLUOROPHENYL)METHYL]-
BENZAMIDE		A1I9M0.71
PHAPHENYLALANINALA,B1OB20.71
PHAPHENYLALANINALV,Y,Z2WDG0.71
PHAPHENYLALANINALV,Y,Z2WDK0.71
PHAPHENYLALANINAL1,2,4,5,A,B,
C,D,E,J,K,L,
M,N,O,P,R,S,
T,U,V,Z		1M900.71
PHAPHENYLALANINALP3SGA0.71
PHAPHENYLALANINALA,B,C,D,E,F1OB50.71
PHAPHENYLALANINALV,Y,Z2WDM0.71
PHAPHENYLALANINAL0,2,4,9,A,B,
C,H,I,J,K,L,
M,N,P,Q,R,S,
T,X,Y,Z		1KQS0.71
PHAPHENYLALANINALA,B1KDV0.71
PHAPHENYLALANINAL1,2,4,5,6,A,
B,C,D,E,J,K,
L,M,N,O,P,R,
S,T,U,V,Z		1Q860.71
PHAPHENYLALANINALA,B1KDY0.71
PHAPHENYLALANINALV,Y,Z3FIC0.71
PHAPHENYLALANINALV,Y,Z2WDH0.71
PHAPHENYLALANINALA,B1KE20.71
HPQHOMOPHENYLALANINYLMETHANEB1EWP0.72
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide		A,B3CNT0.76
HBXbenzaldehydeA,B3GDN0.71
4PG1-[4-(2-oxo-2-phenylethyl)phenyl]guanidineU2R2W0.7
MQ7MENAQUINONE-7C,H,L,M1PRC0.73
MQ7MENAQUINONE-7A,B,D,M,N,P2B760.73
MQ7MENAQUINONE-7C,H,L,M5PRC0.73
MQ7MENAQUINONE-7C,H,L,M7PRC0.73
MQ7MENAQUINONE-7C,H,L,M2PRC0.73
MQ7MENAQUINONE-7C,H,L,M1R2C0.73
MQ7MENAQUINONE-7A,B,C,E,F,G2VPW0.73
MQ7MENAQUINONE-7C,H,L,M3PRC0.73
MQ7MENAQUINONE-7A,B,D,M,N,O,P1L0V0.73
MQ7MENAQUINONE-7C,H,L,M2JBL0.73
MQ7MENAQUINONE-7C,H,L,M6PRC0.73
BSA2-(BENZOYLAMINO)ETHANESULFONIC ACIDA1YQS0.71
BBA2,7-BIS-(4-AMIDINOBENZYLIDENE)-
CYCLOHEPTAN-1-ONE		A,B1A5H0.73
BBA2,7-BIS-(4-AMIDINOBENZYLIDENE)-
CYCLOHEPTAN-1-ONE		T1V2N0.73
F2BN-(2,3-DIFLUORO-BENZYL)-4-SULFAMOYL-
BENZAMIDE		A1G460.71
F2BN-(2,3-DIFLUORO-BENZYL)-4-SULFAMOYL-
BENZAMIDE		A1G520.71
APZ4-AMINOPHTHALHYDRAZIDEA1ENU0.7
U1N4-[(3R)-3-{[2-(4-FLUOROPHENYL)-
2-OXOETHYL]AMINO}BUTYL]BENZAMIDE		A,B2OGZ0.77
BZQDIPHENYLMETHANONEA,B1GT50.81
BZQDIPHENYLMETHANONEA,B1DZP0.81
R01(4'-{[ALLYL(METHYL)AMINO]METHYL}-
1,1'-BIPHENYL-4-YL)(4-BROMOPHENYL)METHANONE		A,B,C1H350.72
S2DN-BENZOYL-D-ALANINEA,B2JCI0.7
NAMNAM NAPTHYLAMINOALANINEA,B,I,J3FIV0.77
NAMNAM NAPTHYLAMINOALANINEA,B,I,J2FIV0.77
AC01-PHENYLETHANONEA1ZK10.76
AC01-PHENYLETHANONEA1ZK40.76
IOC4-(AMINOSULFONYL)-N-[(2,3,4-TRIFLUOROPHENYL)METHYL]-
BENZAMIDE		A1I9O0.71
VK3MENADIONEA1TUV0.75
VK3MENADIONEA,B2QR20.75
LSA1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-
DIOXIDE		A2Q1B0.73
LSA1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-
DIOXIDE		A2Q380.73
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
12BBENZO[CD]INDOL-2(1H)-ONEA,B2F670.71
E043-CARBOXAMIDO-1,3,5(10)-ESTRATRIEN-
17(R)-SPIRO-2'(5',5'-DIMETHYL-6'OXO)TETRAHYDROPYRAN		A1ZQ50.7
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide		A,B3CNS0.76
BSBN-BENZYL-4-SULFAMOYL-BENZAMIDEA1G4O0.73
FSBN-(2-FLOURO-BENZYL)-4-SULFAMOYL-
BENZAMIDE		A1G450.72
FSBN-(2-FLOURO-BENZYL)-4-SULFAMOYL-
BENZAMIDE		A1G1D0.72
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
I062-PHENETHYL-2,3-DIHYDRO-PHTHALAZINE-
1,4-DIONE		D,E,F,G,H,L,
M,N,O,P		1EEF0.76
LEG1-(4-HEXYLPHENYL)PROP-2-EN-1-ONEA,B2PIN0.75
JNH1-[2-(S)-AMINO-3-BIPHENYL-4-YL-
PROPIONYL]-PYRROLIDINE-2-(S)-CARBONITRILE		I,J2AJL0.7
ANQACENAPHTHENEQUINONEH,J1OAX0.73
IOF4-(AMINOSULFONYL)-N-[(3,4,5-TRIFLUOROPHENYL)METHYL]-
BENZAMIDE		A1I9Q0.71
F6BN-(2,6-DIFLOURO-BENZYL)-4-SULFAMOYL-
BENZAMIDE		A1G480.71
F6BN-(2,6-DIFLOURO-BENZYL)-4-SULFAMOYL-
BENZAMIDE		A1G530.71
NFAPHENYLALANINE AMIDEA,B,C,D2BTJ0.75
NFAPHENYLALANINE AMIDEA,B,C,D,E,F2EFX0.75
NFAPHENYLALANINE AMIDEA,B,C,D2VVJ0.75
NFAPHENYLALANINE AMIDEA2A4O0.75
NFAPHENYLALANINE AMIDEA,B1XAE0.75
NFAPHENYLALANINE AMIDEA,B,C,D2OGR0.75
NFAPHENYLALANINE AMIDEA,B,C,D1QA70.75
NFAPHENYLALANINE AMIDEA,B,C,D2GW40.75
BVATRIHYDROXY[(N-HYDROXYBENZAMIDATO)OXO]VANADATEB,C2P8O0.82
DHQ3,4-DIHYDRO-5-METHYL-ISOQUINOLINONEA1PAX0.79
PQNPHYLLOQUINONEA,B,C,F,I,J,
K,L,M,X		1JB00.73
PQNPHYLLOQUINONE1,2,3,4,A,B,
C,F,G,H,I,J,
K,L		2O010.73
PQNPHYLLOQUINONEA,B,C,F,K,L2PPS0.73
PQNPHYLLOQUINONEA,B,C,F,K,L1C510.73
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		1QZV0.73
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
PHMPHENYLALANYLMETHANEA,I1PJP0.72
PHMPHENYLALANYLMETHANEA,B,C2J9J0.72
PHMPHENYLALANYLMETHANEA,B,C2JE40.72
BP4BIPHENYL-4-YL-ACETALDEHYDEA,B,E,F,G,H1MHW0.74
6054'-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]biphenyl-
3-carboxamide		A,B3D4L0.82
INV4-(AMINOSULFONYL)-N-[(4-FLUOROPHENYL)METHYL]-
BENZAMIDE		A1I9L0.72
RXAisoquinoline-1,3,4(2H)-trioneA,B,C,D3DEH0.77