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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01289292

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BJP(1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACIDA1ERO0.74
I062-PHENETHYL-2,3-DIHYDRO-PHTHALAZINE-
1,4-DIONE
D,E,F,G,H,L,
M,N,O,P
1EEF0.77
INGD-[(AMINO)CARBONYL]PHENYLALANINEA,B1UF80.7
INGD-[(AMINO)CARBONYL]PHENYLALANINEA,B,D,E1HDU0.7
HPIN-(1-CARBOXY-3-PHENYLPROPYL)PHENYLALANYL-
ALPHA-ASPARAGINE
A1U4G0.72
FPBN-({(2S)-1-[(3R)-3-AMINO-4-(2-FLUOROPHENYL)BUTANOYL]PYRROLIDIN-
2-YL}METHYL)BENZAMIDE
A,B2BUB0.7
4AF4-ACETYL-L-PHENYLALANINEA1ZH60.7
MPQN-METHYL-ALPHA-PHENYL-GLYCINED1D6E0.7
TP4N-[4-[[GLUTAMIC ACID]-CARBONYL]-
BENZENE-SULFONYL-D-PROLINYL]-3-
AMINO-PROPANOIC ACID
A,B1F4G0.7
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B,C,D1SN90.82
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B1SNE0.82
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B,C,D1SNA0.82
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B1XOF0.82
INFD-[(N-HYDROXYAMINO)CARBONYL]PHENYLALANINEA1HDQ0.7
HOP(1S,2S,5S)2-(4-GLUTARIDYLBENZYL)-
5-PHENYL-1-CYCLOHEXANOL
H,L1D6V0.77
HOP(1S,2S,5S)2-(4-GLUTARIDYLBENZYL)-
5-PHENYL-1-CYCLOHEXANOL
A,B,H,L1AXS0.77
LAZN-(2-AMINOETHYL)-P-CHLOROBENZAMIDEA,B1OJC0.74
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNS0.78
3XH3-Hydroxyhippuric acidA3E9K0.74
BFBN-[(1S)-1-(AMINOCARBONYL)-4-(ETHANIMIDOYLAMINO)BUTYL]BENZAMIDEA2DW50.7
KHA1-(4-{[(2-HYDROXYETHYL)AMINO]CARBONYL}BENZYL)-
1-METHYLPIPERIDINIUM
H,L,X,Y1UWG0.77
MX3(1-{4-[BENZYL(METHYL)AMINO]-4-OXOBUTANOYL}HYDRAZINO)ACETIC ACIDI2C2O0.78
YC2N-{[(1S)-1-carboxy-5-{[(4-iodophenyl)carbonyl]amino}pentyl]carbamoyl}-
L-glutamic acid
A3D7H0.77
4BA4-[(2-CARBOXY-ETHYLAMINO)-METHYL]-
BENZOIC ACID
C1FAV0.77
TINA,B1N940.71
NPGN-SUCCINYL PHENYLGLYCINEA,B,C,D1SJD0.8
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
N1MMJ0.73
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY50.74
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY80.74
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY90.74
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XXZ0.74
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY40.74
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY60.74
BJI1(R)-1-ACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACIDA1ERM0.76
MY1[N-(3-DIBENZYLCARBAMOYL-OXIRANECARBONYL)-
HYDRAZINO]-ACETIC ACID
I2CDR0.71
TP34-[[GLUTAMIC ACID]-CARBONYL]-BENZENE-
SULFONYL-D-PROLINE
A,B1F4F0.72
B15[2,2'-({4-[({2-[4-(AMINOSULFONYL)PHENYL]ETHYL}AMINO)CARBONYL]BENZYL}IMINO)DIACETATO(2-
)-KAPPAO]COPPER
A2FOQ0.7
DHQ3,4-DIHYDRO-5-METHYL-ISOQUINOLINONEA1PAX0.72
MY3[N-(3-BENZYLCARBAMOYL-OXIRANECARBONYL)-
HYDRAZINO] - ACETIC ACID
A,I2CNL0.77
S2DN-BENZOYL-D-ALANINEA,B2JCI0.82
KR2(2R)-4-(2-BENZOYL-1,2-DIAZEPAN-
1-YL)-4-OXO-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-
2-AMINE
A,B2OLE0.73
BSBN-BENZYL-4-SULFAMOYL-BENZAMIDEA1G4O0.71
ARQBENZOYLAMINO-BENZYL-METHYL-[2-HYDROXY-
3-[1-METHYL-ETHYL-OXY-N-FORMAMIDYL]-
4-PHENYL-BUTYL]-AMMONIUM
A3AID0.75
TPI4-CARBAMOYL-4-{[6-(DIFLUORO-PHOSPHONO-
METHYL)-NAPHTHALENE-2-CARBONYL]-
AMINO}-BUTYRIC ACID
A1BZC0.71
PMEN-L-ALPHA-ASPARTYL L-PHENYLALANINE 1-
METHYL ESTER
H,L1A8J0.72
MN21-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENEN1NLO0.75
NDFN-(CARBOXYCARBONYL)-D-PHENYLALANINEA1YCI0.72
BAGN-[(E)-2-AMINO-1-(3-{[AMINO(IMINO)METHYL]AMINO}PROPYL)-
2-HYDROXYVINYL]BENZAMIDE
A1WDA0.74
MY4(1-{(3S)-3-HYDROXY-4-OXO-4-[(2-
PHENYLETHYL)AMINO]BUTANOYL}HYDRAZINO)ACETIC ACID
A2CNO0.73
GF7(3S)-1-(4-acetylphenyl)-5-oxopyrrolidine-
3-carboxylic acid
A3GQZ0.71
B30{2,2'-[(2-{[4-(AMINOSULFONYL)BENZOYL]AMINO}ETHYL)IMINO]DIACETATO(2-
)-KAPPAO}COPPER
A2FOV0.72
B30{2,2'-[(2-{[4-(AMINOSULFONYL)BENZOYL]AMINO}ETHYL)IMINO]DIACETATO(2-
)-KAPPAO}COPPER
A,B2FOY0.72
KAFN-{(5S)-4,4-dihydroxy-6-phenyl-
5-[(phenylcarbonyl)amino]hexanoyl}-
L-phenylalanine
A3BKK0.77
BNNACETYL-P-AMIDINOPHENYLALANINE2,3,48KME0.71
BNNACETYL-P-AMIDINOPHENYLALANINEH,I,J7KME0.71
BSA2-(BENZOYLAMINO)ETHANESULFONIC ACIDA1YQS0.75
SAB4-SULFONAMIDE-[1-(4-AMINOBUTANE)]BENZAMIDEA1OKM0.73
GK5N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)-
6-methylbiphenyl-3,4'-dicarboxamide
A3D7Z0.71
002N-[(2R)-2-BENZYL-4-(HYDROXYAMINO)-
4-OXOBUTANOYL]-L-ISOLEUCYL-L-LEUCINE
A,B2FV90.7
LHYL-[(N-HYDROXYAMINO)CARBONYL]PHENYLALANINEA,B,D,E1HEE0.7
KELN-[(2R)-2-benzyl-4-(hydroxyamino)-
4-oxobutanoyl]-L-alanine
X3B7U0.72
NDLN-BENZOYL-L-NORLEUCYL-L-LYSYL-L-
ARGINYL-L-ARGININE
B2FP70.73
MY5{1-[(3S)-4-{[(1S)-2-(BENZYLAMINO)-
1-METHYL-2-OXOETHYL]AMINO}-3-HYDROXY-
4-OXOBUTANOYL]HYDRAZINO}ACETIC ACID
I2CNN0.73
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNT0.78
AJH4-({4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-
1,4-diazepan-1-yl}carbonyl)benzoic acid
A,B3EIO0.71
STB4-SULFONAMIDE-[4-(THIOMETHYLAMINOBUTANE)]BENZAMIDEA1OKN0.71
ICXmethyl N-[(5Z)-6-({[4-(4-iodobenzyl)phenyl]carbonyl}amino)hex-
5-enoyl]glycinate
A,C,D,E,G,P,
Q,R,W
3CWB0.74
BR46-PHENYL-4(R)-(7-PHENYL-HEPTANOYLAMINO)-
HEXANOIC ACID
A1KQU0.72
MN71-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZENEN1NLO0.76
T114-[3-(TRIFLUOROMETHYL)DIAZIRIDIN-
3-YL]-L-PHENYLALANINE
A3D6U0.7