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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02905220

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
3XH3-Hydroxyhippuric acidA3E9K0.73
INGD-[(AMINO)CARBONYL]PHENYLALANINEA,B1UF80.7
INGD-[(AMINO)CARBONYL]PHENYLALANINEA,B,D,E1HDU0.7
MX3(1-{4-[BENZYL(METHYL)AMINO]-4-OXOBUTANOYL}HYDRAZINO)ACETIC ACIDI2C2O0.72
MEAN-METHYLPHENYLALANINEA2PIL0.71
MEAN-METHYLPHENYLALANINEA,B,C,D1H0I0.71
MEAN-METHYLPHENYLALANINEA,B,I1DOJ0.71
ICXmethyl N-[(5Z)-6-({[4-(4-iodobenzyl)phenyl]carbonyl}amino)hex-
5-enoyl]glycinate
A,C,D,E,G,P,
Q,R,W
3CWB0.76
4AF4-ACETYL-L-PHENYLALANINEA1ZH60.7
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY50.72
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY80.72
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY90.72
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XXZ0.72
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY40.72
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY60.72
LAZN-(2-AMINOETHYL)-P-CHLOROBENZAMIDEA,B1OJC0.75
S2DN-BENZOYL-D-ALANINEA,B2JCI0.87
BNNACETYL-P-AMIDINOPHENYLALANINE2,3,48KME0.72
BNNACETYL-P-AMIDINOPHENYLALANINEH,I,J7KME0.72
SX54-[(4-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin-
1-yl]carbonyl}phenyl)amino]-4-oxobutanoic acid
A,B3CJ40.72
MN71-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZENEN1NLO0.73
GK5N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)-
6-methylbiphenyl-3,4'-dicarboxamide
A3D7Z0.7
FR12-[4-[[(S)-1-[[(S)-2-[[(RS)-3,3,3-
TRIFLUORO-1-ISOPROPYL-2-OXOPROPYL]AMINOCARBONYL]PYRROLIDIN-
1-YL-]CARBONYL]-2-METHYLPROPYL]AMINOCARBONYL]BENZOYLAMINO]ACETIC ACID
N1MMJ0.75
4BA4-[(2-CARBOXY-ETHYLAMINO)-METHYL]-
BENZOIC ACID
C1FAV0.72
YC2N-{[(1S)-1-carboxy-5-{[(4-iodophenyl)carbonyl]amino}pentyl]carbamoyl}-
L-glutamic acid
A3D7H0.73
B15[2,2'-({4-[({2-[4-(AMINOSULFONYL)PHENYL]ETHYL}AMINO)CARBONYL]BENZYL}IMINO)DIACETATO(2-
)-KAPPAO]COPPER
A2FOQ0.72
MPQN-METHYL-ALPHA-PHENYL-GLYCINED1D6E0.74
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNT0.76
BAGN-[(E)-2-AMINO-1-(3-{[AMINO(IMINO)METHYL]AMINO}PROPYL)-
2-HYDROXYVINYL]BENZAMIDE
A1WDA0.71
DHQ3,4-DIHYDRO-5-METHYL-ISOQUINOLINONEA1PAX0.72
R01(4'-{[ALLYL(METHYL)AMINO]METHYL}-
1,1'-BIPHENYL-4-YL)(4-BROMOPHENYL)METHANONE
A,B,C1H350.72
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B,C,D1SN90.81
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B1SNE0.81
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B,C,D1SNA0.81
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B1XOF0.81
TI1[2(R,S)-2-SULFANYLHEPTANOYL]-PHE-
ALA
A1R1I0.7
TI1[2(R,S)-2-SULFANYLHEPTANOYL]-PHE-
ALA
A1QF10.7
KELN-[(2R)-2-benzyl-4-(hydroxyamino)-
4-oxobutanoyl]-L-alanine
X3B7U0.71
NDFN-(CARBOXYCARBONYL)-D-PHENYLALANINEA1YCI0.72
4PIN-(4-METHYLBENZOYL)-4-BENZYLPIPERIDINEA,B2NSD0.7
SX34-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin-
1-yl]carbonyl}aniline
A,B3CJ20.72
ALRALRESTATINA1AZ10.72
TIO(2-MERCAPTOMETHYL-3-PHENYL-PROPIONYL)-
GLYCINE
E1ZDP0.73
S17methyl 4-bromo-N-[8-(hydroxyamino)-
8-oxooctanoyl]-L-phenylalaninate
A,B,C,D2VCG0.75
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNS0.76
KHA1-(4-{[(2-HYDROXYETHYL)AMINO]CARBONYL}BENZYL)-
1-METHYLPIPERIDINIUM
H,L,X,Y1UWG0.79
BFBN-[(1S)-1-(AMINOCARBONYL)-4-(ETHANIMIDOYLAMINO)BUTYL]BENZAMIDEA2DW50.71
BSA2-(BENZOYLAMINO)ETHANESULFONIC ACIDA1YQS0.73
KAFN-{(5S)-4,4-dihydroxy-6-phenyl-
5-[(phenylcarbonyl)amino]hexanoyl}-
L-phenylalanine
A3BKK0.73
U1N4-[(3R)-3-{[2-(4-FLUOROPHENYL)-
2-OXOETHYL]AMINO}BUTYL]BENZAMIDE
A,B2OGZ0.71
MN21-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENEN1NLO0.7
NDLN-BENZOYL-L-NORLEUCYL-L-LYSYL-L-
ARGINYL-L-ARGININE
B2FP70.73
4BF4-BROMO-L-PHENYLALANINEA2AG60.72
NPGN-SUCCINYL PHENYLGLYCINEA,B,C,D1SJD0.74
BJI1(R)-1-ACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACIDA1ERM0.72
B30{2,2'-[(2-{[4-(AMINOSULFONYL)BENZOYL]AMINO}ETHYL)IMINO]DIACETATO(2-
)-KAPPAO}COPPER
A2FOV0.73
B30{2,2'-[(2-{[4-(AMINOSULFONYL)BENZOYL]AMINO}ETHYL)IMINO]DIACETATO(2-
)-KAPPAO}COPPER
A,B2FOY0.73
TINA,B1N940.72
ZAEN-methyl-D-phenylalanineH,I,R1TBZ0.71
SAB4-SULFONAMIDE-[1-(4-AMINOBUTANE)]BENZAMIDEA1OKM0.7