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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00277891

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BP4BIPHENYL-4-YL-ACETALDEHYDEA,B,E,F,G,H1MHW0.71
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.73
IOC4-(AMINOSULFONYL)-N-[(2,3,4-TRIFLUOROPHENYL)METHYL]-
BENZAMIDE		A1I9O0.7
MQ7MENAQUINONE-7C,H,L,M1PRC0.72
MQ7MENAQUINONE-7A,B,D,M,N,P2B760.72
MQ7MENAQUINONE-7C,H,L,M5PRC0.72
MQ7MENAQUINONE-7C,H,L,M7PRC0.72
MQ7MENAQUINONE-7C,H,L,M2PRC0.72
MQ7MENAQUINONE-7C,H,L,M1R2C0.72
MQ7MENAQUINONE-7A,B,C,E,F,G2VPW0.72
MQ7MENAQUINONE-7C,H,L,M3PRC0.72
MQ7MENAQUINONE-7A,B,D,M,N,O,P1L0V0.72
MQ7MENAQUINONE-7C,H,L,M2JBL0.72
MQ7MENAQUINONE-7C,H,L,M6PRC0.72
3AB3-aminobenzamideA,B,C,D3GOY0.77
4PIN-(4-METHYLBENZOYL)-4-BENZYLPIPERIDINEA,B2NSD0.76
FSBN-(2-FLOURO-BENZYL)-4-SULFAMOYL-
BENZAMIDE		A1G450.71
FSBN-(2-FLOURO-BENZYL)-4-SULFAMOYL-
BENZAMIDE		A1G1D0.71
IOE4-(AMINOSULFONYL)-N-[(2,4,6-TRIFLUOROPHENYL)METHYL]-
BENZAMIDE		A1I9P0.7
9TA1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)-
ETHYLAMINO]-ANTHRAQUINONE		A,B1FDG0.77
KR2(2R)-4-(2-BENZOYL-1,2-DIAZEPAN-
1-YL)-4-OXO-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-
2-AMINE		A,B2OLE0.72
BBA2,7-BIS-(4-AMIDINOBENZYLIDENE)-
CYCLOHEPTAN-1-ONE		A,B1A5H0.72
BBA2,7-BIS-(4-AMIDINOBENZYLIDENE)-
CYCLOHEPTAN-1-ONE		T1V2N0.72
IN4+/-METHYL 4-(AMINOIMINOMETHYL)-
BETA-[3- INH (AMINOIMINO)PHENYL]BENZENE PENTANOATE		A1AZ80.7
12BBENZO[CD]INDOL-2(1H)-ONEA,B2F670.7
4AN6-AMINO-BENZO[DE]ISOQUINOLINE-1,3-
DIONE		A2PAX0.71
APZ4-AMINOPHTHALHYDRAZIDEA1ENU0.73
E043-CARBOXAMIDO-1,3,5(10)-ESTRATRIEN-
17(R)-SPIRO-2'(5',5'-DIMETHYL-6'OXO)TETRAHYDROPYRAN		A1ZQ50.71
MQ9MENAQUINONE-9C,H,L,M3D380.72
MQ9MENAQUINONE-9C,H,L,M1VRN0.72
MQ9MENAQUINONE-9C,H,L,M2I5N0.72
MQ9MENAQUINONE-9C,H,L,M,U1DXR0.72
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
I062-PHENETHYL-2,3-DIHYDRO-PHTHALAZINE-
1,4-DIONE		D,E,F,G,H,L,
M,N,O,P		1EEF0.78
NAMNAM NAPTHYLAMINOALANINEA,B,I,J3FIV0.76
NAMNAM NAPTHYLAMINOALANINEA,B,I,J2FIV0.76
INV4-(AMINOSULFONYL)-N-[(4-FLUOROPHENYL)METHYL]-
BENZAMIDE		A1I9L0.71
MQ8MENAQUINONE 8C,H,L,M1EYS0.72
C164-(4-methyl-1,3-dioxo-1,3-dihydro-
2H-isoindol-2-yl)benzonitrile		A3BNZ0.71
PBFPARA-(BENZOYL)-PHENYLALANINEA2FR90.71
PBFPARA-(BENZOYL)-PHENYLALANINEA,B1EEN0.71
PBFPARA-(BENZOYL)-PHENYLALANINEA2HGZ0.71
PBFPARA-(BENZOYL)-PHENYLALANINEA2FRB0.71
IOF4-(AMINOSULFONYL)-N-[(3,4,5-TRIFLUOROPHENYL)METHYL]-
BENZAMIDE		A1I9Q0.7
LSA1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-
DIOXIDE		A2Q1B0.71
LSA1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-
DIOXIDE		A2Q380.71
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide		A,B3CNS0.74
F6BN-(2,6-DIFLOURO-BENZYL)-4-SULFAMOYL-
BENZAMIDE		A1G480.7
F6BN-(2,6-DIFLOURO-BENZYL)-4-SULFAMOYL-
BENZAMIDE		A1G530.7
DMW2,3-DIMETHYL-1,4-NAPHTHOQUINONEA,B,C,D,E,F2BS40.74
BZQDIPHENYLMETHANONEA,B1GT50.76
BZQDIPHENYLMETHANONEA,B1DZP0.76
DHQ3,4-DIHYDRO-5-METHYL-ISOQUINOLINONEA1PAX0.77
U1N4-[(3R)-3-{[2-(4-FLUOROPHENYL)-
2-OXOETHYL]AMINO}BUTYL]BENZAMIDE		A,B2OGZ0.77
IOA4-(AMINOSULFONYL)-N-[(2,5-DIFLUOROPHENYL)METHYL]-
BENZAMIDE		A1I9N0.7
HBC(2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT-
2-YL)-PHENYL-METHANONE		H1JGU0.75
AC01-PHENYLETHANONEA1ZK10.71
AC01-PHENYLETHANONEA1ZK40.71
PQNPHYLLOQUINONEA,B,C,F,I,J,
K,L,M,X		1JB00.72
PQNPHYLLOQUINONE1,2,3,4,A,B,
C,F,G,H,I,J,
K,L		2O010.72
PQNPHYLLOQUINONEA,B,C,F,K,L2PPS0.72
PQNPHYLLOQUINONEA,B,C,F,K,L1C510.72
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		1QZV0.72
TTT5-amino-2-methyl-N-[(1R)-1-naphthalen-
1-ylethyl]benzamide		A3E9S0.7
KHA1-(4-{[(2-HYDROXYETHYL)AMINO]CARBONYL}BENZYL)-
1-METHYLPIPERIDINIUM		H,L,X,Y1UWG0.71
GK5N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)-
6-methylbiphenyl-3,4'-dicarboxamide		A3D7Z0.79
NFAPHENYLALANINE AMIDEA,B,C,D2BTJ0.72
NFAPHENYLALANINE AMIDEA,B,C,D,E,F2EFX0.72
NFAPHENYLALANINE AMIDEA,B,C,D2VVJ0.72
NFAPHENYLALANINE AMIDEA2A4O0.72
NFAPHENYLALANINE AMIDEA,B1XAE0.72
NFAPHENYLALANINE AMIDEA,B,C,D2OGR0.72
NFAPHENYLALANINE AMIDEA,B,C,D1QA70.72
NFAPHENYLALANINE AMIDEA,B,C,D2GW40.72
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide		A,B3CNT0.74
BSBN-BENZYL-4-SULFAMOYL-BENZAMIDEA1G4O0.73
LEG1-(4-HEXYLPHENYL)PROP-2-EN-1-ONEA,B2PIN0.72
BVATRIHYDROXY[(N-HYDROXYBENZAMIDATO)OXO]VANADATEB,C2P8O0.79
ANQACENAPHTHENEQUINONEH,J1OAX0.72
VK3MENADIONEA1TUV0.74
VK3MENADIONEA,B2QR20.74
BHOBENZHYDROXAMIC ACIDA,B1GX20.81
BHOBENZHYDROXAMIC ACIDA1HSR0.81
BHOBENZHYDROXAMIC ACIDA,B2ATJ0.81
BHOBENZHYDROXAMIC ACIDA,B4ATJ0.81
BHOBENZHYDROXAMIC ACIDA,B3ATJ0.81
BHOBENZHYDROXAMIC ACIDA3GCK0.81
BHOBENZHYDROXAMIC ACIDA,B,C,D,E,F,
G,H		2BOY0.81
CRIA,B1VKG0.71
INW4-(AMINOSULFONYL)-N-[(2,4-DIFLUOROPHENYL)METHYL]-
BENZAMIDE		A1I9M0.7
F2BN-(2,3-DIFLUORO-BENZYL)-4-SULFAMOYL-
BENZAMIDE		A1G460.7
F2BN-(2,3-DIFLUORO-BENZYL)-4-SULFAMOYL-
BENZAMIDE		A1G520.7
6054'-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]biphenyl-
3-carboxamide		A,B3D4L0.82
RXAisoquinoline-1,3,4(2H)-trioneA,B,C,D3DEH0.77