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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02620597

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DHQ3,4-DIHYDRO-5-METHYL-ISOQUINOLINONEA1PAX0.75
ZAEN-methyl-D-phenylalanineH,I,R1TBZ0.74
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.74
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.74
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.74
DI5AC-(D)PHE-PRO-BOROHOMOORNITHINE-
OH		H1LHG0.78
V35D-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C2VGC0.77
4PH4-methyl-L-phenylalanineB,C3BV90.7
419N-[(3aR,6S,6aS)-1-(N-methyl-L-alanyl-
3-methyl-L-valyl)octahydrocyclopenta[b]pyrrol-
6-yl]-2,2-diphenylacetamide		A,B3F7H0.7
FTYDEOXY-DIFLUOROMETHELENE-PHOSPHOTYROSINEC,D1A080.71
FTYDEOXY-DIFLUOROMETHELENE-PHOSPHOTYROSINEC,D,E,F1QZ00.71
FTYDEOXY-DIFLUOROMETHELENE-PHOSPHOTYROSINEC,D,E,F1XXV0.71
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.77
872(3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]-
3-(2,2,2-TRIFLUOROETHYL)-1,4-DIAZEPAN-
2-ONE		A,B2IIT0.72
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.72
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.72
B2FPHENYLALANINE BORONIC ACIDA,P1P060.72
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.72
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.72
K7IL-alanyl-N-[(1S,2R)-1-benzyl-2-
hydroxypropyl]-L-alaninamide		A,B2QXG0.7
DFJN-({4-[DIFLUORO(PHOSPHONO)METHYL]PHENYL}ACETYL)-
L-PHENYLALANYL-4-[DIFLUORO(PHOSPHONO)METHYL]-
L-PHENYLALANINAMIDE		A2CNE0.77
NPGN-SUCCINYL PHENYLGLYCINEA,B,C,D1SJD0.71
APLN-(1-BENZYL-3,3,3-TRIFLUORO-2,2-
DIHYDROXY-PROPYL)-ACETAMIDE		B,C1GG60.73
FPA1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDEE,I4EST0.8
PLHMETHYLAMINO-PHENYLALANYL-LEUCYL-
HYDROXAMIC ACID		A1HFC0.78
PLHMETHYLAMINO-PHENYLALANYL-LEUCYL-
HYDROXAMIC ACID		A1MNC0.78
HPQHOMOPHENYLALANINYLMETHANEB1EWP0.74
PSSETHYLAMINOBENZYLMETHYLCARBONYL GROUPA1EAG0.78
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide		A,B3CNS0.78
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidA1OS00.8
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidE,I4TMN0.8
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidS1CGH0.8
PPB1-{[1-(2-AMINO-3-PHENYL-PROPIONYL)-
PYRROLIDINE-2-CARBONYL]-AMINO}-
2-(3-CYANO-PHENYL)-ETHANEBORONIC ACID		A1AUJ0.71
5FH(5S)-5-benzylimidazolidine-2,4-
dione		A2JLO0.75
TI1[2(R,S)-2-SULFANYLHEPTANOYL]-PHE-
ALA		A1R1I0.73
TI1[2(R,S)-2-SULFANYLHEPTANOYL]-PHE-
ALA		A1QF10.73
DPND-PHENYLALANINEP1MCS0.7
DPND-PHENYLALANINEA1GOE0.7
DPND-PHENYLALANINEA2RM90.7
DPND-PHENYLALANINEA1SOC0.7
DPND-PHENYLALANINEB,C,E,F1SFQ0.7
DPND-PHENYLALANINEI1ABJ0.7
DPND-PHENYLALANINEP1DWE0.7
DPND-PHENYLALANINEI,M1HLT0.7
DPND-PHENYLALANINEA,H,L1J9C0.7
DPND-PHENYLALANINEI,T1TMB0.7
DPND-PHENYLALANINEA2JRY0.7
DPND-PHENYLALANINEA2SOC0.7
DPND-PHENYLALANINEA2YYF0.7
DPND-PHENYLALANINEI2HGT0.7
DPND-PHENYLALANINEA,D2Q3I0.7
DPND-PHENYLALANINEA,P1MCD0.7
DPND-PHENYLALANINEP1HAO0.7
DPND-PHENYLALANINEA,B,I1Z8J0.7
DPND-PHENYLALANINEA,B,C2PGQ0.7
DPND-PHENYLALANINEC,D,H,I,L,M,
X,Y		1DVA0.7
DPND-PHENYLALANINEP1NRR0.7
DPND-PHENYLALANINEI1PPB0.7
DPND-PHENYLALANINEC,D,G,H1NU70.7
DPND-PHENYLALANINEI2HPP0.7
DPND-PHENYLALANINEB,C2OD30.7
DPND-PHENYLALANINEA1B0Q0.7
DPND-PHENYLALANINEB,C,E,F1NU90.7
DPND-PHENYLALANINEA,B,I1Z8I0.7
DPND-PHENYLALANINEH,I,J1TMU0.7
DPND-PHENYLALANINEA,B,C,D,E,F2DNS0.7
DPND-PHENYLALANINEA1GO90.7
DPND-PHENYLALANINEB,C,E,F1A0H0.7
DPND-PHENYLALANINEP1MCF0.7
DPND-PHENYLALANINEA2RME0.7
DPND-PHENYLALANINEH,I1TMT0.7
DPND-PHENYLALANINEI1ABI0.7
DPND-PHENYLALANINER1NRQ0.7
DPND-PHENYLALANINEB,C,F,G2A1D0.7
DPND-PHENYLALANINEA,B2Q330.7
DPND-PHENYLALANINEC,H,L1DAN0.7
DPND-PHENYLALANINEP1MCE0.7
DPND-PHENYLALANINEB,C,E,F2A450.7
DPND-PHENYLALANINEA2RMI0.7
DPND-PHENYLALANINEA,B,I1TQ70.7
DPND-PHENYLALANINEA1W7M0.7
DPND-PHENYLALANINEP1HAP0.7
DPND-PHENYLALANINEA,B1ORF0.7
DPND-PHENYLALANINEI1IHS0.7
DPND-PHENYLALANINEP1MCC0.7
DPND-PHENYLALANINEA2RMD0.7
DPND-PHENYLALANINEA2JQB0.7
DPND-PHENYLALANINEI2HPQ0.7
DPND-PHENYLALANINEC,E,F1SHH0.7
DPND-PHENYLALANINEA,I1CVR0.7
DPND-PHENYLALANINEL,P1AUT0.7
DPND-PHENYLALANINEP1MCI0.7
DPND-PHENYLALANINEH,I3F6U0.7
DPND-PHENYLALANINEA1BFW0.7
DPND-PHENYLALANINEH,I1HAI0.7
DPND-PHENYLALANINEB,C2THF0.7
DPND-PHENYLALANINEI1IHT0.7
DPND-PHENYLALANINEA,P1MCJ0.7
DPND-PHENYLALANINEA1TKH0.7
DPND-PHENYLALANINEC,H,L,T2FIR0.7
DPND-PHENYLALANINEA2FMZ0.7
DPND-PHENYLALANINEA1YL90.7
DPND-PHENYLALANINEI1HUT0.7
DPND-PHENYLALANINEI1FXY0.7
DPND-PHENYLALANINEA1YL80.7
DPND-PHENYLALANINEC,H,L1QFK0.7
DPND-PHENYLALANINEP1MCB0.7
822N-ACETYL-N-[1-(1,1'-BIPHENYL-4-
YLMETHYL)-2-OXOAZEPAN-3-YL]-4-[DIFLUORO(PHOSPHONO)METHYL]PHENYLALANINAMIDE		A1O470.73
MINMETHYL-PHE-PRO-AMINO-CYCLOHEXYLGLYCINEH,I1TOM0.75
RRT(R)-RETRO-THIORPHANE1Z9G0.72
LHYL-[(N-HYDROXYAMINO)CARBONYL]PHENYLALANINEA,B,D,E1HEE0.71
DI3AC-(D)PHE-PRO-BORO-N-BUTYL-AMIDINO-
GLYCINE-OH		H1LHE0.72
PH0N-{(2S)-3-[(R)-[(1R)-1-amino-2-
phenylethyl](hydroxy)phosphoryl]-
2-benzylpropanoyl}-L-phenylalanine		A2R590.75
DI2AC-(D)PHE-PRO-BOROLYS-OHH1LHD0.77
IPP(P-IODOPHENYLACETYLAMINO)METHYLPHOSPHINIC ACIDA,B1BLS0.92
PHMPHENYLALANYLMETHANEA,I1PJP0.76
PHMPHENYLALANYLMETHANEA,B,C2J9J0.76
PHMPHENYLALANYLMETHANEA,B,C2JE40.76
TIO(2-MERCAPTOMETHYL-3-PHENYL-PROPIONYL)-
GLYCINE		E1ZDP0.76
DP7AC-(D)PHE-PRO-BOROARG-OHH1LHC0.72
INGD-[(AMINO)CARBONYL]PHENYLALANINEA,B1UF80.73
INGD-[(AMINO)CARBONYL]PHENYLALANINEA,B,D,E1HDU0.73
KHA1-(4-{[(2-HYDROXYETHYL)AMINO]CARBONYL}BENZYL)-
1-METHYLPIPERIDINIUM		H,L,X,Y1UWG0.73
DI4AC-(D)PHE-PRO-BOROHOMOLYS-OHH1LHF0.77
SM3(1R)-1-(2-THIENYLACETYLAMINO)-1-
PHENYLMETHYLBORONIC ACID		A,B1PI40.71
SM3(1R)-1-(2-THIENYLACETYLAMINO)-1-
PHENYLMETHYLBORONIC ACID		A,B2FFY0.71
SM3(1R)-1-(2-THIENYLACETYLAMINO)-1-
PHENYLMETHYLBORONIC ACID		A,B1MY80.71
BNFN-BENZYLFORMAMIDEA,B1U3U0.72
37UD-phenylalanyl-N-(3-fluorobenzyl)-
L-prolinamide		H,I2ZDV0.71
TTXTENTOXINB1KMH0.71
53UD-phenylalanyl-N-benzyl-L-prolinamideH,I2ZFF0.73
APF1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-
2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)		B,C1GG60.82
APF1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-
2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)		G6GCH0.82
HALN-{[2-({[1-(4-CARBOXYBUTANOYL)AMINO]-
2-PHENYLETHYL}-HYDROXYPHOSPHINYL)OXY]ACETYL}-
2-PHENYLETHYLAMINE		A,B,H1MJJ0.74
HALN-{[2-({[1-(4-CARBOXYBUTANOYL)AMINO]-
2-PHENYLETHYL}-HYDROXYPHOSPHINYL)OXY]ACETYL}-
2-PHENYLETHYLAMINE		B,H1MH50.74
HALN-{[2-({[1-(4-CARBOXYBUTANOYL)AMINO]-
2-PHENYLETHYL}-HYDROXYPHOSPHINYL)OXY]ACETYL}-
2-PHENYLETHYLAMINE		H1MJ70.74
SAB4-SULFONAMIDE-[1-(4-AMINOBUTANE)]BENZAMIDEA1OKM0.71
BIRN-[3-[(1-AMINOETHYL)(HYDROXY)PHOSPHORYL]-
2-(1,1'-BIPHENYL-4-YLMETHYL)PROPANOYL]ALANINE		A1R1H0.78
BIRN-[3-[(1-AMINOETHYL)(HYDROXY)PHOSPHORYL]-
2-(1,1'-BIPHENYL-4-YLMETHYL)PROPANOYL]ALANINE		L3B7R0.78
IPOPARA-IODO-D-PHENYLALANINE HYDROXAMIC ACIDA1IGB0.74
DTF4-[(10S,14S,18S)-18-(2-AMINO-2-
OXOETHYL)-14-(1-NAPHTHYLMETHYL)-
8,17,20-TRIOXO-7,16,19-TRIAZASPIRO[5.14]ICOS-
11-EN-10-YL]BENZYLPHOSPHONIC ACID		A1X0N0.7
ZYZ(4-{(2S)-2-[(tert-butoxycarbonyl)amino]-
3-methoxy-3-oxopropyl}phenyl)methaneseleninic acid		A3D9C0.7
PHAPHENYLALANINALA,B1OB20.73
PHAPHENYLALANINALV,Y,Z2WDG0.73
PHAPHENYLALANINALV,Y,Z2WDK0.73
PHAPHENYLALANINAL1,2,4,5,A,B,
C,D,E,J,K,L,
M,N,O,P,R,S,
T,U,V,Z		1M900.73
PHAPHENYLALANINALP3SGA0.73
PHAPHENYLALANINALA,B,C,D,E,F1OB50.73
PHAPHENYLALANINALV,Y,Z2WDM0.73
PHAPHENYLALANINAL0,2,4,9,A,B,
C,H,I,J,K,L,
M,N,P,Q,R,S,
T,X,Y,Z		1KQS0.73
PHAPHENYLALANINALA,B1KDV0.73
PHAPHENYLALANINAL1,2,4,5,6,A,
B,C,D,E,J,K,
L,M,N,O,P,R,
S,T,U,V,Z		1Q860.73
PHAPHENYLALANINALA,B1KDY0.73
PHAPHENYLALANINALV,Y,Z3FIC0.73
PHAPHENYLALANINALV,Y,Z2WDH0.73
PHAPHENYLALANINALA,B1KE20.73
51UD-phenylalanyl-N-(3-methylbenzyl)-
L-prolinamide		H,I2ZF00.73
S27N-[[2-METHYL-4-HYDROXYCARBAMOYL]BUT-
4-YL-N]-BENZYL-P-[PHENYL]-P-[METHYL]PHOSPHINAMID		A,B1B3D0.71
BJI1(R)-1-ACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACIDA1ERM0.73
BEY(2S)-3-[(R)-[(1S)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]-
2-benzylpropanoic acid		A3EBI0.73
APD3-METHYLPHENYLALANINEA,B,C1GMY0.7
BSA2-(BENZOYLAMINO)ETHANESULFONIC ACIDA1YQS0.74
BR46-PHENYL-4(R)-(7-PHENYL-HEPTANOYLAMINO)-
HEXANOIC ACID		A1KQU0.73
JNH1-[2-(S)-AMINO-3-BIPHENYL-4-YL-
PROPIONYL]-PYRROLIDINE-2-(S)-CARBONITRILE		I,J2AJL0.73
NFAPHENYLALANINE AMIDEA,B,C,D2BTJ0.77
NFAPHENYLALANINE AMIDEA,B,C,D,E,F2EFX0.77
NFAPHENYLALANINE AMIDEA,B,C,D2VVJ0.77
NFAPHENYLALANINE AMIDEA2A4O0.77
NFAPHENYLALANINE AMIDEA,B1XAE0.77
NFAPHENYLALANINE AMIDEA,B,C,D2OGR0.77
NFAPHENYLALANINE AMIDEA,B,C,D1QA70.77
NFAPHENYLALANINE AMIDEA,B,C,D2GW40.77
D7PD-PHENYLALANYL-N~5~-[(2,2-DIHYDROXYHYDRAZINO)(IMINO)METHYL]-
D-ORNITHINAMIDE		A,B1RS70.71
D7PD-PHENYLALANYL-N~5~-[(2,2-DIHYDROXYHYDRAZINO)(IMINO)METHYL]-
D-ORNITHINAMIDE		A,B1RS90.71
44Ubeta-phenyl-D-phenylalanyl-N-propyl-
L-prolinamide		B,D3DA90.75
INFD-[(N-HYDROXYAMINO)CARBONYL]PHENYLALANINEA1HDQ0.71
SRBL-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C3VGC0.76
OIRN-(3-PHENYL-2-SULFANYLPROPANOYL)PHENYLALANYLALANINEA1R1J0.71
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
KELN-[(2R)-2-benzyl-4-(hydroxyamino)-
4-oxobutanoyl]-L-alanine		X3B7U0.73
FAF2-ACETYLAMINO-4-METHYL-PENTANOIC ACID (1-
FORMYL-2-PHENYL-ETHYL)-AMIDE		B,C1GGD0.79
PFX(2S)-1-({2-[2-(carboxymethoxy)ethoxy]ethyl}amino)-
1-oxo-3-(4-phosphonophenyl)propan-
2-aminium		A2K9E0.75
LPF1,1,1-TRIFLUORO-3-((N-ACETYL)-L-
LEUCYLAMIDO)-4-PHENYL-BUTAN-2-ONE(N-
ACETYL-L-LEUCYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)		G7GCH0.77
565(3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]-
3-METHYL-1,4-DIAZEPAN-2-ONE		A,B2IIV0.74
PMI(2-AMINO-2,3-DIHYDRO-1H-INDEN-2-
YL)PHOSPHONIC ACID		A,B,C,D,E,F,
G,H		2O7E0.7
T16BOROLOG2H1A3E0.7
V36L-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C1VGC0.77
GK5N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)-
6-methylbiphenyl-3,4'-dicarboxamide		A3D7Z0.71
2BFALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACIDA,B,C,D1ND50.76
S2DN-BENZOYL-D-ALANINEA,B2JCI0.75
U1N4-[(3R)-3-{[2-(4-FLUOROPHENYL)-
2-OXOETHYL]AMINO}BUTYL]BENZAMIDE		A,B2OGZ0.71
GG3{1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE-
1,1-DIYL}BIS(PHOSPHONIC ACID)		A,B2P1C0.74
GG3{1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE-
1,1-DIYL}BIS(PHOSPHONIC ACID)		A,B2Z7H0.74
LAZN-(2-AMINOETHYL)-P-CHLOROBENZAMIDEA,B1OJC0.71
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA,B2NMX0.74
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA2NNS0.74
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B,C,D1SN90.72
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B1SNE0.72
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B,C,D1SNA0.72
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B1XOF0.72
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide		A,B3CNT0.78
MEAN-METHYLPHENYLALANINEA2PIL0.74
MEAN-METHYLPHENYLALANINEA,B,C,D1H0I0.74
MEAN-METHYLPHENYLALANINEA,B,I1DOJ0.74
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID		A,L,M3FEA0.75
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID		P1CWD0.75
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID		L3FE70.75
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID		B2GV20.75
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID		B,D1CWE0.75
APE(1-AMINO-2-PHENYL-ETHYL)-CARBAMIC ACIDE,I1SCN0.74
SRDD-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C4VGC0.76
DFMN-ACETYL-L-PHENYLALANYL-4-[DIFLUORO(PHOSPHONO)METHYL]-
L-PHENYLALANINAMIDE		A2CMC0.81
NDFN-(CARBOXYCARBONYL)-D-PHENYLALANINEA1YCI0.75
876N-ACETYL-N-[1-(1,1'-BIPHENYL-4-
YLMETHYL)-2-OXOAZEPAN-3-YL]-3,4-
DIPHOSPHONOPHENYLALANINAMIDE		A1O4B0.74
HIN(2S) N-ACETYL-L-ALANYL-ALPHAL-PHENYLALANYL-
CHLOROETHYLKETONE		B2GMT0.75
I20(2S)-2-({(2S)-3-[(R)-[(1R)-1-({(4S)-
4-amino-5-[(2S)-2-cyanopyrrolidin-
1-yl]-5-oxopentanoyl}amino)ethyl](hydroxy)phosphoryl]-
2-benzylpropanoyl}amino)propanoic acid		A2QPJ0.72