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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01753825

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BBLN-[(BENZYLOXY)CARBONYL]-L-ALANINEA,I2H9H0.7
BBLN-[(BENZYLOXY)CARBONYL]-L-ALANINEA,I2HAL0.7
BBLN-[(BENZYLOXY)CARBONYL]-L-ALANINEA2A4O0.7
BBLN-[(BENZYLOXY)CARBONYL]-L-ALANINEA,I2H6M0.7
BBLN-[(BENZYLOXY)CARBONYL]-L-ALANINEA2CXV0.7
CLBD-PARA-CHLOROPHENYL-1-ACETAMIDOBORONIC ACID ALANINEA1VSB0.71
GK5N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)-
6-methylbiphenyl-3,4'-dicarboxamide
A3D7Z0.72
FPBN-({(2S)-1-[(3R)-3-AMINO-4-(2-FLUOROPHENYL)BUTANOYL]PYRROLIDIN-
2-YL}METHYL)BENZAMIDE
A,B2BUB0.7
APF1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-
2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
B,C1GG60.71
APF1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-
2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
G6GCH0.71
BNFN-BENZYLFORMAMIDEA,B1U3U0.73
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNS0.77
SBDD-NAPHTHYL-1-ACETAMIDO BORONIC ACID ALANINEA3VSB0.71
UNH({1-[1-CARBAMOYL-PHENYL-METHYL)-
CARBAMOYL]-METHYL}-AMINOOXALYL)-
BUTYLCARBAMOYL)-3-METHYL-BUTYLCARBAMOYL)-
CYCLOHEXYL-METHYL)-CARBAMIC ACID ISOBUTYL ESTER
A,C2A4G0.72
186[1-(1-METHYL-4,5-DIOXO-PENT-2-ENYLCARBAMOYL)-
2-PHENYL-ETHYL]-CARBAMIC ACID BENZYL ESTER
X1U9Q0.73
F1HN-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamideA2ZJH0.71
ZFB(3R)-3-{[(BENZYLOXY)CARBONYL]AMINO}-
2-OXO-4-PHENYLBUTANE-1-DIAZONIUM
A,B,C,D1PVJ0.7
RRT(R)-RETRO-THIORPHANE1Z9G0.72
TFK3-[[(METHYLAMINO)SULFONYL]AMINO]-
2-OXO-6-PHENYL-N-[3,3,3-TRIFLUORO-
1-(1-METHYLETHYL)-2-OXOPHENYL]-
1(2H)-PYRIDINE ACETAMIDE
A1EAS0.7
ENBETHYL (2E,4S)-4-[((2R)-2-{[N-(TERT-
BUTOXYCARBONYL)-L-VALYL]AMINO}-
2-PHENYLETHANOYL)AMINO]-5-[(3S)-
2-OXOPYRROLIDIN-3-YL]PENT-2-ENOATE
A,B2D2D0.78
BACN-(4-IODO-BENZYL)-FORMAMIDEA,B,C,D2WPO0.71
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.77
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.77
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.77
KHA1-(4-{[(2-HYDROXYETHYL)AMINO]CARBONYL}BENZYL)-
1-METHYLPIPERIDINIUM
H,L,X,Y1UWG0.73
BJI1(R)-1-ACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACIDA1ERM0.71
LAZN-(2-AMINOETHYL)-P-CHLOROBENZAMIDEA,B1OJC0.7
MKC6-BENZYL-1-ETHOXYMETHYL-5-ISOPROPYL URACILA1RT10.71
DHQ3,4-DIHYDRO-5-METHYL-ISOQUINOLINONEA1PAX0.72
SBLL-NAPHTHYL-1-ACETAMIDO BORONIC ACID ALANINEA1AV70.71
S2DN-BENZOYL-D-ALANINEA,B2JCI0.78
FAF2-ACETYLAMINO-4-METHYL-PENTANOIC ACID (1-
FORMYL-2-PHENYL-ETHYL)-AMIDE
B,C1GGD0.71
NPGN-SUCCINYL PHENYLGLYCINEA,B,C,D1SJD0.7
MN21-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENEN1NLO0.73
53UD-phenylalanyl-N-benzyl-L-prolinamideH,I2ZFF0.71
PSSETHYLAMINOBENZYLMETHYLCARBONYL GROUPA1EAG0.71
GAN2-[3-BENZYL-5-(1-ALANYL-AMINOETHYL)-
2,3,6,7-TETRAHYDRO-1H-AZEPIN-1-
YL]-1-OXOPROPYL-VALINYL-VALINE-
METHYLESTER
A1HBV0.7
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.71
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY50.71
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY80.71
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY90.71
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XXZ0.71
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY40.71
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY60.71
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B,C,D1SN90.75
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B1SNE0.75
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B,C,D1SNA0.75
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B1XOF0.75
DPC5-ACETYLAMINO-4-AMINO-6-(PHENETHYL-
PROPYL-CARBAMOYL)-5,6-DIHYDRO-4H-
PYRAN-2-CARBOXYLIC ACID
A,B1A4Q0.75
DPC5-ACETYLAMINO-4-AMINO-6-(PHENETHYL-
PROPYL-CARBAMOYL)-5,6-DIHYDRO-4H-
PYRAN-2-CARBOXYLIC ACID
A1BJI0.75
TR12-(2-{2-[(BIPHENYL-4-YLMETHYL)-
AMINO]-3-MERCAPTO-PENTANOYLAMINO}-
ACETYLAMINO)-3-METHYL-BUTYRIC ACID METHYL ESTER
A,B1C8T0.72
TR12-(2-{2-[(BIPHENYL-4-YLMETHYL)-
AMINO]-3-MERCAPTO-PENTANOYLAMINO}-
ACETYLAMINO)-3-METHYL-BUTYRIC ACID METHYL ESTER
A,B1C3I0.72
ICXmethyl N-[(5Z)-6-({[4-(4-iodobenzyl)phenyl]carbonyl}amino)hex-
5-enoyl]glycinate
A,C,D,E,G,P,
Q,R,W
3CWB0.73
FPA1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDEE,I4EST0.72
APLN-(1-BENZYL-3,3,3-TRIFLUORO-2,2-
DIHYDROXY-PROPYL)-ACETAMIDE
B,C1GG60.71
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNT0.77
51UD-phenylalanyl-N-(3-methylbenzyl)-
L-prolinamide
H,I2ZF00.7
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIM0.72
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIL0.72
TTXTENTOXINB1KMH0.7
CLDD-PARA-CHLOROPHENYL-1-ACTEAMIDOBORONIC ACID ALANINEA1AVT0.71