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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00614036

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
MQ7MENAQUINONE-7C,H,L,M1PRC0.77
MQ7MENAQUINONE-7A,B,D,M,N,P2B760.77
MQ7MENAQUINONE-7C,H,L,M5PRC0.77
MQ7MENAQUINONE-7C,H,L,M7PRC0.77
MQ7MENAQUINONE-7C,H,L,M2PRC0.77
MQ7MENAQUINONE-7C,H,L,M1R2C0.77
MQ7MENAQUINONE-7A,B,C,E,F,G2VPW0.77
MQ7MENAQUINONE-7C,H,L,M3PRC0.77
MQ7MENAQUINONE-7A,B,D,M,N,O,P1L0V0.77
MQ7MENAQUINONE-7C,H,L,M2JBL0.77
MQ7MENAQUINONE-7C,H,L,M6PRC0.77
TTT5-amino-2-methyl-N-[(1R)-1-naphthalen-
1-ylethyl]benzamide		A3E9S0.71
3AB3-aminobenzamideA,B,C,D3GOY0.72
BVATRIHYDROXY[(N-HYDROXYBENZAMIDATO)OXO]VANADATEB,C2P8O0.78
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
ICXmethyl N-[(5Z)-6-({[4-(4-iodobenzyl)phenyl]carbonyl}amino)hex-
5-enoyl]glycinate		A,C,D,E,G,P,
Q,R,W		3CWB0.71
MCG(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINEA,B1ISS0.7
E043-CARBOXAMIDO-1,3,5(10)-ESTRATRIEN-
17(R)-SPIRO-2'(5',5'-DIMETHYL-6'OXO)TETRAHYDROPYRAN		A1ZQ50.76
MQ9MENAQUINONE-9C,H,L,M3D380.77
MQ9MENAQUINONE-9C,H,L,M1VRN0.77
MQ9MENAQUINONE-9C,H,L,M2I5N0.77
MQ9MENAQUINONE-9C,H,L,M,U1DXR0.77
IN4+/-METHYL 4-(AMINOIMINOMETHYL)-
BETA-[3- INH (AMINOIMINO)PHENYL]BENZENE PENTANOATE		A1AZ80.72
4AF4-ACETYL-L-PHENYLALANINEA1ZH60.72
KHA1-(4-{[(2-HYDROXYETHYL)AMINO]CARBONYL}BENZYL)-
1-METHYLPIPERIDINIUM		H,L,X,Y1UWG0.72
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
RXAisoquinoline-1,3,4(2H)-trioneA,B,C,D3DEH0.76
I062-PHENETHYL-2,3-DIHYDRO-PHTHALAZINE-
1,4-DIONE		D,E,F,G,H,L,
M,N,O,P		1EEF0.74
VK3MENADIONEA1TUV0.76
VK3MENADIONEA,B2QR20.76
AC01-PHENYLETHANONEA1ZK10.75
AC01-PHENYLETHANONEA1ZK40.75
MQ8MENAQUINONE 8C,H,L,M1EYS0.77
4PIN-(4-METHYLBENZOYL)-4-BENZYLPIPERIDINEA,B2NSD0.8
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide		A,B3CNS0.74
51UD-phenylalanyl-N-(3-methylbenzyl)-
L-prolinamide		H,I2ZF00.71
HPQHOMOPHENYLALANINYLMETHANEB1EWP0.72
BBA2,7-BIS-(4-AMIDINOBENZYLIDENE)-
CYCLOHEPTAN-1-ONE		A,B1A5H0.75
BBA2,7-BIS-(4-AMIDINOBENZYLIDENE)-
CYCLOHEPTAN-1-ONE		T1V2N0.75
DHQ3,4-DIHYDRO-5-METHYL-ISOQUINOLINONEA1PAX0.77
TSNTRICHOSTATIN AA,B1T640.71
TSNTRICHOSTATIN AA,B1C3R0.71
TSNTRICHOSTATIN AA,B,C3F0R0.71
TSNTRICHOSTATIN AA,B,C3C100.71
BHOBENZHYDROXAMIC ACIDA,B1GX20.8
BHOBENZHYDROXAMIC ACIDA1HSR0.8
BHOBENZHYDROXAMIC ACIDA,B2ATJ0.8
BHOBENZHYDROXAMIC ACIDA,B4ATJ0.8
BHOBENZHYDROXAMIC ACIDA,B3ATJ0.8
BHOBENZHYDROXAMIC ACIDA3GCK0.8
BHOBENZHYDROXAMIC ACIDA,B,C,D,E,F,
G,H		2BOY0.8
PBFPARA-(BENZOYL)-PHENYLALANINEA2FR90.75
PBFPARA-(BENZOYL)-PHENYLALANINEA,B1EEN0.75
PBFPARA-(BENZOYL)-PHENYLALANINEA2HGZ0.75
PBFPARA-(BENZOYL)-PHENYLALANINEA2FRB0.75
PQNPHYLLOQUINONEA,B,C,F,I,J,
K,L,M,X		1JB00.77
PQNPHYLLOQUINONE1,2,3,4,A,B,
C,F,G,H,I,J,
K,L		2O010.77
PQNPHYLLOQUINONEA,B,C,F,K,L2PPS0.77
PQNPHYLLOQUINONEA,B,C,F,K,L1C510.77
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		1QZV0.77
LEG1-(4-HEXYLPHENYL)PROP-2-EN-1-ONEA,B2PIN0.78
DMW2,3-DIMETHYL-1,4-NAPHTHOQUINONEA,B,C,D,E,F2BS40.76
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide		A,B3CNT0.74
GK5N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)-
6-methylbiphenyl-3,4'-dicarboxamide		A3D7Z0.81
U1N4-[(3R)-3-{[2-(4-FLUOROPHENYL)-
2-OXOETHYL]AMINO}BUTYL]BENZAMIDE		A,B2OGZ0.82
KTP(2-NAPHTHALEN-2-YL-1-NAPHTHALEN-
1-YL-2-OXO-ETHYL)-PHOSPHONIC ACID		A,B1KYN0.72
R01(4'-{[ALLYL(METHYL)AMINO]METHYL}-
1,1'-BIPHENYL-4-YL)(4-BROMOPHENYL)METHANONE		A,B,C1H350.76
CRIA,B1VKG0.71
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.71
ELI6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-
2-YL)HEXANOIC ACID		A,B2GH50.7
HBC(2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT-
2-YL)-PHENYL-METHANONE		H1JGU0.8
6054'-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]biphenyl-
3-carboxamide		A,B3D4L0.83
BZQDIPHENYLMETHANONEA,B1GT50.78
BZQDIPHENYLMETHANONEA,B1DZP0.78
NAMNAM NAPTHYLAMINOALANINEA,B,I,J3FIV0.73
NAMNAM NAPTHYLAMINOALANINEA,B,I,J2FIV0.73
PHMPHENYLALANYLMETHANEA,I1PJP0.72
PHMPHENYLALANYLMETHANEA,B,C2J9J0.72
PHMPHENYLALANYLMETHANEA,B,C2JE40.72
ANQACENAPHTHENEQUINONEH,J1OAX0.74
BSBN-BENZYL-4-SULFAMOYL-BENZAMIDEA1G4O0.7