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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02823936

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
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.7
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.7
AC01-PHENYLETHANONEA1ZK10.78
AC01-PHENYLETHANONEA1ZK40.78
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
HBC(2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT-
2-YL)-PHENYL-METHANONE		H1JGU0.77
HPQHOMOPHENYLALANINYLMETHANEB1EWP0.75
BBA2,7-BIS-(4-AMIDINOBENZYLIDENE)-
CYCLOHEPTAN-1-ONE		A,B1A5H0.72
BBA2,7-BIS-(4-AMIDINOBENZYLIDENE)-
CYCLOHEPTAN-1-ONE		T1V2N0.72
E043-CARBOXAMIDO-1,3,5(10)-ESTRATRIEN-
17(R)-SPIRO-2'(5',5'-DIMETHYL-6'OXO)TETRAHYDROPYRAN		A1ZQ50.71
NFAPHENYLALANINE AMIDEA,B,C,D2BTJ0.76
NFAPHENYLALANINE AMIDEA,B,C,D,E,F2EFX0.76
NFAPHENYLALANINE AMIDEA,B,C,D2VVJ0.76
NFAPHENYLALANINE AMIDEA2A4O0.76
NFAPHENYLALANINE AMIDEA,B1XAE0.76
NFAPHENYLALANINE AMIDEA,B,C,D2OGR0.76
NFAPHENYLALANINE AMIDEA,B,C,D1QA70.76
NFAPHENYLALANINE AMIDEA,B,C,D2GW40.76
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
KHA1-(4-{[(2-HYDROXYETHYL)AMINO]CARBONYL}BENZYL)-
1-METHYLPIPERIDINIUM		H,L,X,Y1UWG0.72
NAMNAM NAPTHYLAMINOALANINEA,B,I,J3FIV0.71
NAMNAM NAPTHYLAMINOALANINEA,B,I,J2FIV0.71
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide		A,B3CNT0.79
4AF4-ACETYL-L-PHENYLALANINEA1ZH60.73
MQ8MENAQUINONE 8C,H,L,M1EYS0.72
BHOBENZHYDROXAMIC ACIDA,B1GX20.86
BHOBENZHYDROXAMIC ACIDA1HSR0.86
BHOBENZHYDROXAMIC ACIDA,B2ATJ0.86
BHOBENZHYDROXAMIC ACIDA,B4ATJ0.86
BHOBENZHYDROXAMIC ACIDA,B3ATJ0.86
BHOBENZHYDROXAMIC ACIDA3GCK0.86
BHOBENZHYDROXAMIC ACIDA,B,C,D,E,F,
G,H		2BOY0.86
LEG1-(4-HEXYLPHENYL)PROP-2-EN-1-ONEA,B2PIN0.8
4PIN-(4-METHYLBENZOYL)-4-BENZYLPIPERIDINEA,B2NSD0.8
HY1PHENYLACETALDEHYDED,H2I0S0.7
HY1PHENYLACETALDEHYDEA,B1D6Y0.7
HY1PHENYLACETALDEHYDEA,B1D6Z0.7
HY1PHENYLACETALDEHYDED,H2OK40.7
HY1PHENYLACETALDEHYDEA,B1D6U0.7
DMW2,3-DIMETHYL-1,4-NAPHTHOQUINONEA,B,C,D,E,F2BS40.74
MCG(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINEA,B1ISS0.74
BSA2-(BENZOYLAMINO)ETHANESULFONIC ACIDA1YQS0.71
BZQDIPHENYLMETHANONEA,B1GT50.76
BZQDIPHENYLMETHANONEA,B1DZP0.76
TSNTRICHOSTATIN AA,B1T640.71
TSNTRICHOSTATIN AA,B1C3R0.71
TSNTRICHOSTATIN AA,B,C3F0R0.71
TSNTRICHOSTATIN AA,B,C3C100.71
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide		A,B3CNS0.79
PHMPHENYLALANYLMETHANEA,I1PJP0.75
PHMPHENYLALANYLMETHANEA,B,C2J9J0.75
PHMPHENYLALANYLMETHANEA,B,C2JE40.75
3AB3-aminobenzamideA,B,C,D3GOY0.79
LSA1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-
DIOXIDE		A2Q1B0.74
LSA1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-
DIOXIDE		A2Q380.74
6054'-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]biphenyl-
3-carboxamide		A,B3D4L0.79
9TA1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)-
ETHYLAMINO]-ANTHRAQUINONE		A,B1FDG0.71
GK5N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)-
6-methylbiphenyl-3,4'-dicarboxamide		A3D7Z0.76
VK3MENADIONEA1TUV0.74
VK3MENADIONEA,B2QR20.74
I062-PHENETHYL-2,3-DIHYDRO-PHTHALAZINE-
1,4-DIONE		D,E,F,G,H,L,
M,N,O,P		1EEF0.71
S2DN-BENZOYL-D-ALANINEA,B2JCI0.72
RXAisoquinoline-1,3,4(2H)-trioneA,B,C,D3DEH0.74
2013-AMIDO-5-BIPHENYL-BENZOIC ACIDA2B0M0.71
U1N4-[(3R)-3-{[2-(4-FLUOROPHENYL)-
2-OXOETHYL]AMINO}BUTYL]BENZAMIDE		A,B2OGZ0.76
R01(4'-{[ALLYL(METHYL)AMINO]METHYL}-
1,1'-BIPHENYL-4-YL)(4-BROMOPHENYL)METHANONE		A,B,C1H350.71
HBXbenzaldehydeA,B3GDN0.72
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.71
PHAPHENYLALANINALA,B1OB20.72
PHAPHENYLALANINALV,Y,Z2WDG0.72
PHAPHENYLALANINALV,Y,Z2WDK0.72
PHAPHENYLALANINAL1,2,4,5,A,B,
C,D,E,J,K,L,
M,N,O,P,R,S,
T,U,V,Z		1M900.72
PHAPHENYLALANINALP3SGA0.72
PHAPHENYLALANINALA,B,C,D,E,F1OB50.72
PHAPHENYLALANINALV,Y,Z2WDM0.72
PHAPHENYLALANINAL0,2,4,9,A,B,
C,H,I,J,K,L,
M,N,P,Q,R,S,
T,X,Y,Z		1KQS0.72
PHAPHENYLALANINALA,B1KDV0.72
PHAPHENYLALANINAL1,2,4,5,6,A,
B,C,D,E,J,K,
L,M,N,O,P,R,
S,T,U,V,Z		1Q860.72
PHAPHENYLALANINALA,B1KDY0.72
PHAPHENYLALANINALV,Y,Z3FIC0.72
PHAPHENYLALANINALV,Y,Z2WDH0.72
PHAPHENYLALANINALA,B1KE20.72
1LPTRANYLCYPROMINEA,B1OJB0.74
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
BVATRIHYDROXY[(N-HYDROXYBENZAMIDATO)OXO]VANADATEB,C2P8O0.83
HPK(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATEA2PUH0.7
SAB4-SULFONAMIDE-[1-(4-AMINOBUTANE)]BENZAMIDEA1OKM0.7