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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02125744

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
VRV6-(5-BROMO-2-HYDROXYPHENYL)-2-OXO-
4-PHENYL-1,2-DIHYDROPYRIDINE-3-
CARBONITRILE
A2OBJ0.73
DAH3,4-DIHYDROXYPHENYLALANINEA,B1RNR0.73
DAH3,4-DIHYDROXYPHENYLALANINEA6PAH0.73
DAH3,4-DIHYDROXYPHENYLALANINEA,B1IVV0.73
RHP(3R)-3-(PROP-2-YNYLAMINO)INDAN-
5-OL
A,B1S3E0.7
0E4N-acetyl-L-tyrosyl-L-valyl-L-alanyl-
L-aspartic acid
B,D3GJS0.7
CMQN~2~-[(BENZYLOXY)CARBONYL]-N-[(1S,2S)-
2-HYDROXY-1-(4-HYDROXYBENZYL)PROPYL]-
L-LEUCINAMIDE
A,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2FZS0.72
LDPL-DOPAMINEA,B2A3R0.78
LDPL-DOPAMINEA5PAH0.78
LDPL-DOPAMINEA,B2QMZ0.78
LDPL-DOPAMINEA,B2VQ50.78
ALEL-EPINEPHRINEA3PAH0.75
ALEL-EPINEPHRINEA2HKK0.75
3XH3-Hydroxyhippuric acidA3E9K0.74
BJP(1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACIDA1ERO0.73
YTT(3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine-
2,5-dione
A3G5H0.79
CTACYCLOTHEONAMIDE AA1TYN0.71
TI2(2-SULFANYL-3-PHENYLPROPANOYL)-
PHE-TYR
A1QF00.73
ECAN,N',N''-[BENZENE-1,3,5-TRIYLTRIS(METHYLENE)]TRIS(2,3-
DIHYDROXYBENZAMIDE)
A,B2CHU0.77
IYGN-ALPHA-ACETYL-3,5-DIIODOTYROSYLGLYCINEA1OPM0.7
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.71
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA3HF00.7
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA2OXK0.7
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA,B,C2OXJ0.7
EB4N,N',N''-[(3S,7S,11S)-2,6,10-trioxo-
1,5,9-trioxacyclododecane-3,7,11-
triyl]tris(2,3-dihydroxybenzamide)
A,B,C3CMP0.73
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.7
DB12,3-DIHYDROXYBENZAMIDEA,B,C1X710.7
TYPCYCLO-(L-TYROSINE-L-PROLINE) INHIBITORA,B1W1Y0.73
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.7
ZYABENZOYL-TYROSINE-ALANINE-METHYL KETONEA1AIM0.74
IFBN-[(2',4'-DIFLUORO-4-HYDROXY-5-
IODOBIPHENYL-3-YL)CARBONYL]-BETA-
ALANINE
A,B3FCB0.72
DBS2-(2,3-DIHYDROXY-BENZOYLAMINO)-
3-HYDROXY-PROPIONIC ACID
A,B,C1L6M0.72
DBS2-(2,3-DIHYDROXY-BENZOYLAMINO)-
3-HYDROXY-PROPIONIC ACID
A,B,C3CBC0.72
DBS2-(2,3-DIHYDROXY-BENZOYLAMINO)-
3-HYDROXY-PROPIONIC ACID
A,B,C3BY00.72
Y13(2E)-3-(3,4-DIHYDROXYPHENYL)-N-
[2-(4-HYDROXYPHENYL)ETHYL]ACRYLAMIDE
A2EW60.94
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.72
1BA4-HYDROXY-N'-(4-ISOPROPYLBENZYL)BENZOHYDRAZIDEA2GPP0.71
TYCL-TYROSINAMIDEA2BF90.73
TYCL-TYROSINAMIDEA2OCI0.73
AHT4-(2,5-DIAMINO-5-HYDROXY-PENTYL)-
PHENOL
I,T1TMB0.7
Y124-{(1E)-3-OXO-3-[(2-PHENYLETHYL)AMINO]PROP-
1-EN-1-YL}-1,2-PHENYLENE DIACETATE
A2EW50.78
BFSN-[1-(4-BROMOPHENYL)ETHYL]-5-FLUORO SALICYLAMIDEA1STD0.7
BFSN-[1-(4-BROMOPHENYL)ETHYL]-5-FLUORO SALICYLAMIDEA,B,C4STD0.7
IFAA,B3FC80.7
AEF4-(2-aminoethyl)phenolA3BRA0.73
LNRL-NOREPINEPHRINEA,B2QEO0.73
LNRL-NOREPINEPHRINEA3DYE0.73
LNRL-NOREPINEPHRINEA4PAH0.73
DHCCAFFEIC ACIDA,B,C,D,E,F,
G,H
2O7D0.71
DHCCAFFEIC ACIDA1KOU0.71
SGI3-(4-hydroxyphenyl)propanamideA,B2R9K0.72
099(2R)-N~4~-hydroxy-2-(3-hydroxybenzyl)-
N~1~-[(1S,2R)-2-hydroxy-2,3-dihydro-
1H-inden-1-yl]butanediamide
A,B3HYG0.71
TY33-HYDROXY-L-TYROSINEA,B2VH30.73
BJH1(R)-1-ACETAMIDO-2-(3-CARBOXY-2-
HYDROXYPHENYL)ETHYL BORONIC ACID
A1ERQ0.71
C1NN-[(BENZYLOXY)CARBONYL]LEUCYL-N~1~-
[3-FLUORO-1-(4-HYDROXYBENZYL)-2-
OXOPROPYL]LEUCINAMIDE
A1ZCM0.72
TMSN-PROPYL-4-[(E)-2-(3,4,5-TRIMETHOXY-
PHENYL)-VINYL]-BENZAMIDE
A,B1X6W0.72
NLTN-DODECANOYL-L-TYROSINEA,B,C,D,E,F,
G,H
2G0B0.75