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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03167740

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NPGN-SUCCINYL PHENYLGLYCINEA,B,C,D1SJD0.81
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.72
CLDD-PARA-CHLOROPHENYL-1-ACTEAMIDOBORONIC ACID ALANINEA1AVT0.74
PHLL-PHENYLALANINOLA,B1JOH0.71
PHLL-PHENYLALANINOLI3APR0.71
PHLL-PHENYLALANINOLA1DLZ0.71
PHLL-PHENYLALANINOLA1IH90.71
PHLL-PHENYLALANINOLA1OB40.71
PHLL-PHENYLALANINOLI2ER60.71
PHLL-PHENYLALANINOLA1R9U0.71
PHLL-PHENYLALANINOLA1OB70.71
PHLL-PHENYLALANINOLA,B1OB60.71
PHLL-PHENYLALANINOLA,B,C1AMT0.71
HPHPHENYLALANINDIOLI1E5O0.72
HPHPHENYLALANINDIOLA,B1ODX0.72
HPHPHENYLALANINDIOLA,B1MTB0.72
HPHPHENYLALANINDIOLA,B2FGV0.72
HPHPHENYLALANINDIOLA1ODW0.72
HPHPHENYLALANINDIOLA,B2FGU0.72
HPHPHENYLALANINDIOLA,B1HXB0.72
VRGN~2~-acetyl-N~5~-[N-(methylcarbamoyl)carbamimidoyl]-
L-ornithyl-N-methyl-L-phenylalanyl-
L-aspartic acid
A,B3CHE0.71
GB2(2R,3R,4S)-2-({[(1S)-2-HYDROXY-
1-PHENYLETHYL]AMINO}METHYL)PYRROLIDINE-
3,4-DIOL
A2F1A0.73
MEAN-METHYLPHENYLALANINEA2PIL0.87
MEAN-METHYLPHENYLALANINEA,B,C,D1H0I0.87
MEAN-METHYLPHENYLALANINEA,B,I1DOJ0.87
MEL[((1R)-2-{(2S)-2-[({4-[AMINO(IMINO)METHYL]BENZYL}AMINO)CARBONYL]AZETIDINYL}-
1-CYCLOHEXYL-2-OXOETHYL)AMINO]ACETIC ACID
H,I1K220.73
MEL[((1R)-2-{(2S)-2-[({4-[AMINO(IMINO)METHYL]BENZYL}AMINO)CARBONYL]AZETIDINYL}-
1-CYCLOHEXYL-2-OXOETHYL)AMINO]ACETIC ACID
A1K1P0.73
X9Q{(2S)-2-[(1S)-1-AMINOETHYL]-4-BENZYL-
5-OXO-2,5-DIHYDRO-1H-IMIDAZOL-1-
YL}ACETIC ACID
A2HGD0.72
FTYDEOXY-DIFLUOROMETHELENE-PHOSPHOTYROSINEC,D1A080.71
FTYDEOXY-DIFLUOROMETHELENE-PHOSPHOTYROSINEC,D,E,F1QZ00.71
FTYDEOXY-DIFLUOROMETHELENE-PHOSPHOTYROSINEC,D,E,F1XXV0.71
GB1(2R,3R,4S)-2-({[(1R)-2-HYDROXY-
1-PHENYLETHYL]AMINO}METHYL)PYRROLIDINE-
3,4-DIOL
A2F180.73
ALDCARBOBENZYLOXYLEUCINYL-LEUCINYL-
LEUCINAL
A1BP40.72
INT[[PHENYLMETHYLOXY-CARBONYL]-ALANINYL]-
VALINYL-[PHENYL-1-HYDROXYPROP-2-
YL]-AMINE
A3TLH0.71
INT[[PHENYLMETHYLOXY-CARBONYL]-ALANINYL]-
VALINYL-[PHENYL-1-HYDROXYPROP-2-
YL]-AMINE
A1B110.71
INT[[PHENYLMETHYLOXY-CARBONYL]-ALANINYL]-
VALINYL-[PHENYL-1-HYDROXYPROP-2-
YL]-AMINE
A6FIV0.71
INT[[PHENYLMETHYLOXY-CARBONYL]-ALANINYL]-
VALINYL-[PHENYL-1-HYDROXYPROP-2-
YL]-AMINE
A5FIV0.71
INT[[PHENYLMETHYLOXY-CARBONYL]-ALANINYL]-
VALINYL-[PHENYL-1-HYDROXYPROP-2-
YL]-AMINE
A2HAH0.71
INFD-[(N-HYDROXYAMINO)CARBONYL]PHENYLALANINEA1HDQ0.78
PDH(2S)-2-AMINO-3-PHENYL-1-PROPANOLA1GQ00.71
NDFN-(CARBOXYCARBONYL)-D-PHENYLALANINEA1YCI0.81
C20ACETYL-NH-VAL-CYCLOHEXYL-CH2[NCH2CHOH]CH2-
BENZYL-VAL-NH-ACETYL
A,B1HIH0.71
C20ACETYL-NH-VAL-CYCLOHEXYL-CH2[NCH2CHOH]CH2-
BENZYL-VAL-NH-ACETYL
A,B1HII0.71
GAN2-[3-BENZYL-5-(1-ALANYL-AMINOETHYL)-
2,3,6,7-TETRAHYDRO-1H-AZEPIN-1-
YL]-1-OXOPROPYL-VALINYL-VALINE-
METHYLESTER
A1HBV0.76
4BA4-[(2-CARBOXY-ETHYLAMINO)-METHYL]-
BENZOIC ACID
C1FAV0.73
BNNACETYL-P-AMIDINOPHENYLALANINE2,3,48KME0.78
BNNACETYL-P-AMIDINOPHENYLALANINEH,I,J7KME0.78
2BL(3R)-3-ethyl-N-[(4-methylphenyl)sulfonyl]-
L-aspartic acid
A1BTU0.71
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C730.7
RSAN-PROPARGYL-1(S)-AMINOINDANA,B1S2Y0.7
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C750.7
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C760.7
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C720.7
SMF4-SULFOMETHYL-L-PHENYLALANINED,H1O0D0.7
SMF4-SULFOMETHYL-L-PHENYLALANINED,H2FES0.7
SMF4-SULFOMETHYL-L-PHENYLALANINEH,P2ANK0.7
SMF4-SULFOMETHYL-L-PHENYLALANINED,H2FEQ0.7
SMF4-SULFOMETHYL-L-PHENYLALANINEH,P2A2X0.7
SMF4-SULFOMETHYL-L-PHENYLALANINED,H1NZQ0.7
19U1-[(2R)-2-aminobutanoyl]-N-(3-chlorobenzyl)-
L-prolinamide
H,I2ZFP0.71
K7IL-alanyl-N-[(1S,2R)-1-benzyl-2-
hydroxypropyl]-L-alaninamide
A,B2QXG0.77
TI3[(2S)-2-SULFANYL-3-PHENYLPROPANOYL]-
GLY-(5-PHENYLPROLINE)
A1QF20.72
APD3-METHYLPHENYLALANINEA,B,C1GMY0.79
DI5AC-(D)PHE-PRO-BOROHOMOORNITHINE-
OH
H1LHG0.72
PSI2-(2-{5-[2-(2-AMINO-PROPIONYLAMINO)-
PROPIONYLAMINO]-4-HYDROXY-6-PHENYL-
HEXANOYLAMINO}-3-METHYL-BUTYRYLAMINO)-
3-METHYL-BUTYRIC ACID METHYL ESTER
B1SIV0.73
PSI2-(2-{5-[2-(2-AMINO-PROPIONYLAMINO)-
PROPIONYLAMINO]-4-HYDROXY-6-PHENYL-
HEXANOYLAMINO}-3-METHYL-BUTYRYLAMINO)-
3-METHYL-BUTYRIC ACID METHYL ESTER
B1AAQ0.73
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.75
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.75
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.75
998N-METHYLALANYL-3-METHYLVALYL-N-
(1,2,3,4-TETRAHYDRONAPHTHALEN-1-
YL)PROLINAMIDE
A1TFQ0.7
BIRN-[3-[(1-AMINOETHYL)(HYDROXY)PHOSPHORYL]-
2-(1,1'-BIPHENYL-4-YLMETHYL)PROPANOYL]ALANINE
A1R1H0.75
BIRN-[3-[(1-AMINOETHYL)(HYDROXY)PHOSPHORYL]-
2-(1,1'-BIPHENYL-4-YLMETHYL)PROPANOYL]ALANINE
L3B7R0.75
BBLN-[(BENZYLOXY)CARBONYL]-L-ALANINEA,I2H9H0.72
BBLN-[(BENZYLOXY)CARBONYL]-L-ALANINEA,I2HAL0.72
BBLN-[(BENZYLOXY)CARBONYL]-L-ALANINEA2A4O0.72
BBLN-[(BENZYLOXY)CARBONYL]-L-ALANINEA,I2H6M0.72
BBLN-[(BENZYLOXY)CARBONYL]-L-ALANINEA2CXV0.72
1PAPHENYLMETHYLACETIC ACID ALANINEI1BHF0.75
26UN-(4-carbamimidoylbenzyl)-1-(4-
methylpentanoyl)-L-prolinamide
H,I2ZIQ0.71
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.7
CRP((1RS,3SR)-2,2-DICHLORO-N-[(R)-
1-(4-CHLOROPHENYL)ETHYL]-1-ETHYL-
3-METHYLCYCLOPROPANECARBOXAMIDE
A2STD0.7
CRP((1RS,3SR)-2,2-DICHLORO-N-[(R)-
1-(4-CHLOROPHENYL)ETHYL]-1-ETHYL-
3-METHYLCYCLOPROPANECARBOXAMIDE
A,B,C7STD0.7
IOYP-IODO-D-PHENYLALANINEA1XBU0.78
21UD-leucyl-N-(3-chlorobenzyl)-L-prolinamideH,I2ZGB0.72
PMEN-L-ALPHA-ASPARTYL L-PHENYLALANINE 1-
METHYL ESTER
H,L1A8J0.76
PSA3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACIDI1EPL0.71
PSA3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACIDA,B,C,D2IFW0.71
PSA3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACIDE,I1EPM0.71
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B,C,D1SN90.79
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B1SNE0.79
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B,C,D1SNA0.79
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B1XOF0.79
PNCPARA-NITROBENZYL GLUTARYL GLYCINIC ACIDL1YEF0.74
IBGGAMMA-GLUTAMYL[S-(2-IODOBENZYL)CYSTEINYL]GLYCINEA1M9B0.71
MN71-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZENEN1NLO0.77
S27N-[[2-METHYL-4-HYDROXYCARBAMOYL]BUT-
4-YL-N]-BENZYL-P-[PHENYL]-P-[METHYL]PHOSPHINAMID
A,B1B3D0.75
LO1[[4-(AMINOMETHYL)PHENYL]AMINO]OXO-
ACETIC ACID,
A1WAX0.76
HPIN-(1-CARBOXY-3-PHENYLPROPYL)PHENYLALANYL-
ALPHA-ASPARAGINE
A1U4G0.74
FCL3-CHLORO-L-PHENYLALANINEE,F1OKW0.73
U1N4-[(3R)-3-{[2-(4-FLUOROPHENYL)-
2-OXOETHYL]AMINO}BUTYL]BENZAMIDE
A,B2OGZ0.7
MTJN,O-DIMETHYL-L-TYROSINEA,B1ATL0.7
1ZN(2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy-
2,6,8-trimethyl-10-phenyldeca-4,6-
dienoic acid
C,F,M,N2IAE0.73
R99N-[3-CARBOXY-2-HYDROXY-PROPIONYL]-
D-HOMOPHENYLALANYL-AMINO-2-METHYLBUTANE
A1EWL0.74
APMM-AMIDINOPHENYL-3-ALANINEE1PPH0.74
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID
A,B2ZOF0.78
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID
A2HPT0.78
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID
A1TXR0.78
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID
A1XRY0.78
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID
A2EK90.78
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID
A1HS60.78
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID
A2DQM0.78
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID
A3EBH0.78
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID
A1GW60.78
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID
A,B2ZOG0.78
K7JN-(3-carboxypropanoyl)-L-alanyl-
L-alanyl-N-[(1S,2R)-1-benzyl-2-
hydroxypropyl]-L-prolinamide
A2QXI0.72
K7JN-(3-carboxypropanoyl)-L-alanyl-
L-alanyl-N-[(1S,2R)-1-benzyl-2-
hydroxypropyl]-L-prolinamide
A2QXH0.72
K7JN-(3-carboxypropanoyl)-L-alanyl-
L-alanyl-N-[(1S,2R)-1-benzyl-2-
hydroxypropyl]-L-prolinamide
A2QXJ0.72
R1F3-{[(2,2,5,5-TETRAMETHYL-1-OXO-
4-PHENYL-2,5-DIHYDRO-1H-PYRROLIUM-
3-YL)METHYL]DISULFANYL}-D-ALANINE
A1ZUR0.76
S17methyl 4-bromo-N-[8-(hydroxyamino)-
8-oxooctanoyl]-L-phenylalaninate
A,B,C,D2VCG0.71
U16METHYL N-[(2S,3R)-3-AMINO-2-HYDROXY-
3-(4-ISOPROPYLPHENYL)PROPANOYL]-
D-ALANYL-D-LEUCINATE
A2GG90.74
FOG(4S,5S)-5-amino-4-hydroxy-6-phenylhexanoic acidI1EED0.72
HPQHOMOPHENYLALANINYLMETHANEB1EWP0.7
KHA1-(4-{[(2-HYDROXYETHYL)AMINO]CARBONYL}BENZYL)-
1-METHYLPIPERIDINIUM
H,L,X,Y1UWG0.73
FAF2-ACETYLAMINO-4-METHYL-PENTANOIC ACID (1-
FORMYL-2-PHENYL-ETHYL)-AMIDE
B,C1GGD0.73
PH0N-{(2S)-3-[(R)-[(1R)-1-amino-2-
phenylethyl](hydroxy)phosphoryl]-
2-benzylpropanoyl}-L-phenylalanine
A2R590.73
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNS0.74
HU2(2S)-({N-[(3S)-3-({N-[(2S,4E)-2-
ISOPROPYL-7-METHYLOCT-4-ENOYL]-
L-LEUCYL}AMINO)-2-OXOHEXANOYL]GLYCYL}AMINO)(PHENYL)ACETIC ACID
A,C2OC10.78
GBIS-(3-IODOBENZYL)GLUTATHIONEA2GSQ0.71
KELN-[(2R)-2-benzyl-4-(hydroxyamino)-
4-oxobutanoyl]-L-alanine
X3B7U0.81
2004-CHLORO-L-PHENYLALANINEA,B2AKW0.73
BNFN-BENZYLFORMAMIDEA,B1U3U0.72
37UD-phenylalanyl-N-(3-fluorobenzyl)-
L-prolinamide
H,I2ZDV0.71
TPRTOSYL-D-PROLINEA1F4E0.72
ALNNAPHTHALEN-2-YL-3-ALANINEA,B,I,J2FIV0.72
ALNNAPHTHALEN-2-YL-3-ALANINEA,B1B0H0.72
ALNNAPHTHALEN-2-YL-3-ALANINEB1FIV0.72
ALNNAPHTHALEN-2-YL-3-ALANINEA,B,I,J3FIV0.72
4AF4-ACETYL-L-PHENYLALANINEA1ZH60.74
PN1(2S,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}-
3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-
2-CARBOXYLIC ACID
A1W2N0.72
PN1(2S,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}-
3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-
2-CARBOXYLIC ACID
A1UNB0.72
HMF2-AMINO-4-PHENYL-BUTYRIC ACIDI,J1AY60.78
PLHMETHYLAMINO-PHENYLALANYL-LEUCYL-
HYDROXAMIC ACID
A1HFC0.73
PLHMETHYLAMINO-PHENYLALANYL-LEUCYL-
HYDROXAMIC ACID
A1MNC0.73
MINMETHYL-PHE-PRO-AMINO-CYCLOHEXYLGLYCINEH,I1TOM0.7
53UD-phenylalanyl-N-benzyl-L-prolinamideH,I2ZFF0.73
MY3[N-(3-BENZYLCARBAMOYL-OXIRANECARBONYL)-
HYDRAZINO] - ACETIC ACID
A,I2CNL0.77
APLN-(1-BENZYL-3,3,3-TRIFLUORO-2,2-
DIHYDROXY-PROPYL)-ACETAMIDE
B,C1GG60.77
FNH(2R)-({N-[(3S)-3-({[(3S,6S)-6-CYCLOHEXYL-
5,8-DIOXO-4,7-DIAZABICYCLO[14.3.1]ICOSA-
1(20),16,18-TRIEN-3-YL]CARBONYL}AMINO)-
2-OXOHEXANOYL]GLYCYL}AMINO)(PHENYL)ACETIC ACID
A,C2A4Q0.74
HPEHOMOPHENYLALANINEA,B1B1H0.78
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
N1MMJ0.74
YC2N-{[(1S)-1-carboxy-5-{[(4-iodophenyl)carbonyl]amino}pentyl]carbamoyl}-
L-glutamic acid
A3D7H0.74
BAV(3S,14R,16S)-16-[(1R)-1-hydroxy-
2-{[3-(1-methylethyl)benzyl]amino}ethyl]-
3,4,14-trimethyl-1,4-diazacyclohexadecane-
2,5-dione
A,B,C3DV50.76
T114-[3-(TRIFLUOROMETHYL)DIAZIRIDIN-
3-YL]-L-PHENYLALANINE
A3D6U0.71
BIF(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACIDG,M,P,S1YYL0.75
BIF(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACIDG,M,P,S2I5Y0.75
RRT(R)-RETRO-THIORPHANE1Z9G0.74
TI1[2(R,S)-2-SULFANYLHEPTANOYL]-PHE-
ALA
A1R1I0.78
TI1[2(R,S)-2-SULFANYLHEPTANOYL]-PHE-
ALA
A1QF10.78
F1HN-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamideA2ZJH0.72
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
A,B,I1ZSR0.71
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1ZJ70.71
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1ZLF0.71
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1HEG0.71
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1FQX0.71
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
A,B,I1IIQ0.71
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1HEF0.71
SK3(1R,2R,3S,4S,5R)-5-(BENZYLAMINO)CYCLOPENTANE-
1,2,3,4-TETROL
A2F7R0.75
MPQN-METHYL-ALPHA-PHENYL-GLYCINED1D6E0.87
J54(2R)-3-{[(BENZYLAMINO)CARBONYL]AMINO}-
2-HYDROXYPROPANOIC ACID
A2V350.74
1082-(5-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-
PROPIONIC ACID
A1G3B0.71
1082-(5-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-
PROPIONIC ACID
A1G3D0.71
4BF4-BROMO-L-PHENYLALANINEA2AG60.73
AIC(2S,5R,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}-
3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-
2-CARBOXYLIC ACID
A2RDD0.72
AIC(2S,5R,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}-
3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-
2-CARBOXYLIC ACID
A,B,C,D1NX90.72
AIC(2S,5R,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}-
3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-
2-CARBOXYLIC ACID
A1H8S0.72
AIC(2S,5R,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}-
3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-
2-CARBOXYLIC ACID
A2EX60.72
MY4(1-{(3S)-3-HYDROXY-4-OXO-4-[(2-
PHENYLETHYL)AMINO]BUTANOYL}HYDRAZINO)ACETIC ACID
A2CNO0.73
NLTN-DODECANOYL-L-TYROSINEA,B,C,D,E,F,
G,H
2G0B0.72
MX3(1-{4-[BENZYL(METHYL)AMINO]-4-OXOBUTANOYL}HYDRAZINO)ACETIC ACIDI2C2O0.79
W22[(2S)-4-methyl-3-oxo-2,3,4,5-tetrahydro-
1H-1,4-benzodiazepin-2-yl]acetic acid
A,B2WKW0.73
271N-methyl-1-phenylmethanamineX2RBT0.74
PFF4-FLUORO-L-PHENYLALANINEA3F3C0.78
PFF4-FLUORO-L-PHENYLALANINEA,C,E,F2UUE0.78
PFF4-FLUORO-L-PHENYLALANINEA1ZNT0.78
PFF4-FLUORO-L-PHENYLALANINEF,H1OL10.78
PFF4-FLUORO-L-PHENYLALANINEA,C,F,H2C5V0.78
PFF4-FLUORO-L-PHENYLALANINEE,F1OL20.78
AIPANTIPAINA,B1BCR0.72
UNH({1-[1-CARBAMOYL-PHENYL-METHYL)-
CARBAMOYL]-METHYL}-AMINOOXALYL)-
BUTYLCARBAMOYL)-3-METHYL-BUTYLCARBAMOYL)-
CYCLOHEXYL-METHYL)-CARBAMIC ACID ISOBUTYL ESTER
A,C2A4G0.71
GB3(2R,3R,4S,5R)-2-({[(1R)-2-HYDROXY-
1-PHENYLETHYL]AMINO}METHYL)-5-METHYLPYRROLIDINE-
3,4-DIOL
A2F1B0.74
ICXmethyl N-[(5Z)-6-({[4-(4-iodobenzyl)phenyl]carbonyl}amino)hex-
5-enoyl]glycinate
A,C,D,E,G,P,
Q,R,W
3CWB0.7
PNMOPEN FORM - PENICILLIN GA1GHP0.71
PNMOPEN FORM - PENICILLIN GA1PWC0.71
PNMOPEN FORM - PENICILLIN GA1IYQ0.71
PNMOPEN FORM - PENICILLIN GA1FQG0.71
PNMOPEN FORM - PENICILLIN GA,B,C,D2J8Y0.71
PNMOPEN FORM - PENICILLIN GA,B,C,D2JBF0.71
PNMOPEN FORM - PENICILLIN GA2EX80.71
TFQ4-(2,2,2-TRIFLUOROETHYL)-L-PHENYLALANINEA3D6V0.75
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.71
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNT0.74
GEPN-METHYL-N-(PARA-GLUTARAMIDOPHENYL-
ETHYL)-PIPERIDINIUM ION
L25C80.71
MBH1-BENZYL-1-METHYL-1-(2-ACETYL)HYDRAZINIUM IONA1BMA0.71
OIRN-(3-PHENYL-2-SULFANYLPROPANOYL)PHENYLALANYLALANINEA1R1J0.76
PG9D-PHENYLGLYCINEA,B,G,H10GS0.79
PG9D-PHENYLGLYCINEA,B,C,D2B4K0.79
MY5{1-[(3S)-4-{[(1S)-2-(BENZYLAMINO)-
1-METHYL-2-OXOETHYL]AMINO}-3-HYDROXY-
4-OXOBUTANOYL]HYDRAZINO}ACETIC ACID
I2CNN0.77
BNH[(N-{3-[(N-{CYCLOHEXYL[(ISOBUTOXYCARBONYL)AMINO]ACETYL}-
3-CYCLOPROPYLALANYL)AMINO]-4-CYCLOPROPYL-
2-OXOBUTANOYL}GLYCYL)AMINO](PHENYL)ACETIC ACID
A,C2A4R0.72
SBLL-NAPHTHYL-1-ACETAMIDO BORONIC ACID ALANINEA1AV70.73
24U1-butanoyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZI20.7
PSSETHYLAMINOBENZYLMETHYLCARBONYL GROUPA1EAG0.76
U15METHYL N-[(2S,3R)-3-AMINO-2-HYDROXY-
3-(4-METHYLPHENYL)PROPANOYL]-D-
ALANYL-D-LEUCINATE
A2GG80.75
4PH4-methyl-L-phenylalanineB,C3BV90.79
LGGN-ACETYL-L-ALPHA-GLUTAMYL-L-PHENYLALANYL-
L-GLUTAMINYL-N-[(1S)-4-AMINO-1-
(2-CARBOXYETHYL)-4-OXOBUTYL]-L-
LEUCINAMIDE
A,B2IPH0.73
G23(2R,4S)-2-[(R)-BENZYLCARBAMOYL-
PHENYLACETYL-METHYL]-5,5-DIMETHYL-
THIAZOLIDINE-4-CARBOXYLIC ACID
A1HTE0.74
LPF1,1,1-TRIFLUORO-3-((N-ACETYL)-L-
LEUCYLAMIDO)-4-PHENYL-BUTAN-2-ONE(N-
ACETYL-L-LEUCYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
G7GCH0.72
BCSBENZYLCYSTEINEA,B,G,H10GS0.74
BCSBENZYLCYSTEINEA1EH80.74
APE(1-AMINO-2-PHENYL-ETHYL)-CARBAMIC ACIDE,I1SCN0.72
BR46-PHENYL-4(R)-(7-PHENYL-HEPTANOYLAMINO)-
HEXANOIC ACID
A1KQU0.74
31UD-leucyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZNK0.71
BDLN-(biphenyl-4-ylsulfonyl)-D-leucineA3EHX0.7
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY50.88
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY80.88
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY90.88
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XXZ0.88
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY40.88
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY60.88
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZSF0.71
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A1JLD0.71
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B1IDA0.71
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B1IDB0.71
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1Z8C0.71
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZBG0.71
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZPK0.71
URGN-acetyl-D-alanyl-N~5~-[N-(methylcarbamoyl)carbamimidoyl]-
L-ornithyl-N-methyl-L-phenylalanyl-
L-aspartic acid
A,B3CHF0.7
2BFALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACIDA,B,C,D1ND50.71
002N-[(2R)-2-BENZYL-4-(HYDROXYAMINO)-
4-OXOBUTANOYL]-L-ISOLEUCYL-L-LEUCINE
A,B2FV90.78
1092-(4-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-
PROPIONIC ACID
A1G3C0.71
1092-(4-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-
PROPIONIC ACID
A1G3E0.71
CT1(1R)-2-METHYL-1-(PHENYLMETHYL)PROPYL[(1S)-
1-FORMYLPENTYL]CARBAMATE
A2AUX0.71
LHYL-[(N-HYDROXYAMINO)CARBONYL]PHENYLALANINEA,B,D,E1HEE0.78
LPR[N2-[(S)-1-CARBOXY-3-PHENYLPROPYL]-
L-LYSYL-L-PROLINE
A,B1J360.74
LPR[N2-[(S)-1-CARBOXY-3-PHENYLPROPYL]-
L-LYSYL-L-PROLINE
A,B2C6N0.74
LPR[N2-[(S)-1-CARBOXY-3-PHENYLPROPYL]-
L-LYSYL-L-PROLINE
A1O860.74
MN21-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENEN1NLO0.86
TR12-(2-{2-[(BIPHENYL-4-YLMETHYL)-
AMINO]-3-MERCAPTO-PENTANOYLAMINO}-
ACETYLAMINO)-3-METHYL-BUTYRIC ACID METHYL ESTER
A,B1C8T0.77
TR12-(2-{2-[(BIPHENYL-4-YLMETHYL)-
AMINO]-3-MERCAPTO-PENTANOYLAMINO}-
ACETYLAMINO)-3-METHYL-BUTYRIC ACID METHYL ESTER
A,B1C3I0.77
0A9methyl L-phenylalaninateA1AY20.76
0A9methyl L-phenylalaninateI5ER10.76
0A9methyl L-phenylalaninateI,P1HDT0.76
GSBS-BENZYL-GLUTATHIONEA,B,C,D1FRO0.73
GSBS-BENZYL-GLUTATHIONEA,B,C,D1GUH0.73
CXAPHENYLALANINE-N-SULFONAMIDEA1IY70.76
EAL1-((2S)-2-{[(1S)-1-CARBOXY-3-PHENYLPROPYL]AMINO}PROPANOYL)-
L-PROLINE
A1UZE0.75
TTXTENTOXINB1KMH0.72
PHIIODO-PHENYLALANINEA1TF90.78
PHIIODO-PHENYLALANINEA,B,C,D1ORW0.78
PHIIODO-PHENYLALANINEA1T6H0.78
PHIIODO-PHENYLALANINEA,B,C1NLU0.78
PHIIODO-PHENYLALANINEA,I1GA10.78
PHIIODO-PHENYLALANINEA,I1GA40.78
PHIIODO-PHENYLALANINEP1CZI0.78
ZYZ(4-{(2S)-2-[(tert-butoxycarbonyl)amino]-
3-methoxy-3-oxopropyl}phenyl)methaneseleninic acid
A3D9C0.75
PBFPARA-(BENZOYL)-PHENYLALANINEA2FR90.7
PBFPARA-(BENZOYL)-PHENYLALANINEA,B1EEN0.7
PBFPARA-(BENZOYL)-PHENYLALANINEA2HGZ0.7
PBFPARA-(BENZOYL)-PHENYLALANINEA2FRB0.7
INGD-[(AMINO)CARBONYL]PHENYLALANINEA,B1UF80.8
INGD-[(AMINO)CARBONYL]PHENYLALANINEA,B,D,E1HDU0.8
FRFPHE-REDUCED-PHEA,I1GVX0.82
IGLALPHA-AMINO-2-INDANACETIC ACIDA1BDK0.74
78AN-({(2S,3S)-3-[(BENZYLAMINO)CARBONYL]OXIRAN-
2-YL}CARBONYL)-L-ISOLEUCYL-L-PROLINE
A2DCD0.73
DI4AC-(D)PHE-PRO-BOROHOMOLYS-OHH1LHF0.71
S2DN-BENZOYL-D-ALANINEA,B2JCI0.85
MY1[N-(3-DIBENZYLCARBAMOYL-OXIRANECARBONYL)-
HYDRAZINO]-ACETIC ACID
I2CDR0.7
APF1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-
2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
B,C1GG60.73
APF1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-
2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
G6GCH0.73
TA2(2R,3S)-3-AMINO-3-PHENYLPROPANE-
1,2-DIOL
A,B2IFR0.7
KAFN-{(5S)-4,4-dihydroxy-6-phenyl-
5-[(phenylcarbonyl)amino]hexanoyl}-
L-phenylalanine
A3BKK0.74
MFD(2S,3S,8S,9S)-3-AMINO-9-METHOXY-
2,6,8-TRIMETHYL-10-PHENYLDECA-4,6-
DIENOIC ACID
A1AY30.73
MMIN-[(4S,5S,7R)-8-({(S)-1-[(BENZYLAMINO)OXOMETHYL]-
2-METHYLPROPYL}AMINO)-5-HYDROXY-
2,7-DIMETHYL-8-OXO-OCT-4-YL]-(4S,7S)-
4-ISOPROPYL-2,5,9-TRIOXO-1-OXA-
3,6,10-TRIAZACYCLOHEXADECANE-7-
CARBOXAMIDE
D1XS70.72
51UD-phenylalanyl-N-(3-methylbenzyl)-
L-prolinamide
H,I2ZF00.72
RASN-PROPARGYL-1(R)-AMINONDANA,B2BK40.7
RASN-PROPARGYL-1(R)-AMINONDANA,B1S2Q0.7
ZAEN-methyl-D-phenylalanineH,I,R1TBZ0.87
DPND-PHENYLALANINEP1MCS0.8
DPND-PHENYLALANINEA1GOE0.8
DPND-PHENYLALANINEA2RM90.8
DPND-PHENYLALANINEA1SOC0.8
DPND-PHENYLALANINEB,C,E,F1SFQ0.8
DPND-PHENYLALANINEI1ABJ0.8
DPND-PHENYLALANINEP1DWE0.8
DPND-PHENYLALANINEI,M1HLT0.8
DPND-PHENYLALANINEA,H,L1J9C0.8
DPND-PHENYLALANINEI,T1TMB0.8
DPND-PHENYLALANINEA2JRY0.8
DPND-PHENYLALANINEA2SOC0.8
DPND-PHENYLALANINEA2YYF0.8
DPND-PHENYLALANINEI2HGT0.8
DPND-PHENYLALANINEA,D2Q3I0.8
DPND-PHENYLALANINEA,P1MCD0.8
DPND-PHENYLALANINEP1HAO0.8
DPND-PHENYLALANINEA,B,I1Z8J0.8
DPND-PHENYLALANINEA,B,C2PGQ0.8
DPND-PHENYLALANINEC,D,H,I,L,M,
X,Y
1DVA0.8
DPND-PHENYLALANINEP1NRR0.8
DPND-PHENYLALANINEI1PPB0.8
DPND-PHENYLALANINEC,D,G,H1NU70.8
DPND-PHENYLALANINEI2HPP0.8
DPND-PHENYLALANINEB,C2OD30.8
DPND-PHENYLALANINEA1B0Q0.8
DPND-PHENYLALANINEB,C,E,F1NU90.8
DPND-PHENYLALANINEA,B,I1Z8I0.8
DPND-PHENYLALANINEH,I,J1TMU0.8
DPND-PHENYLALANINEA,B,C,D,E,F2DNS0.8
DPND-PHENYLALANINEA1GO90.8
DPND-PHENYLALANINEB,C,E,F1A0H0.8
DPND-PHENYLALANINEP1MCF0.8
DPND-PHENYLALANINEA2RME0.8
DPND-PHENYLALANINEH,I1TMT0.8
DPND-PHENYLALANINEI1ABI0.8
DPND-PHENYLALANINER1NRQ0.8
DPND-PHENYLALANINEB,C,F,G2A1D0.8
DPND-PHENYLALANINEA,B2Q330.8
DPND-PHENYLALANINEC,H,L1DAN0.8
DPND-PHENYLALANINEP1MCE0.8
DPND-PHENYLALANINEB,C,E,F2A450.8
DPND-PHENYLALANINEA2RMI0.8
DPND-PHENYLALANINEA,B,I1TQ70.8
DPND-PHENYLALANINEA1W7M0.8
DPND-PHENYLALANINEP1HAP0.8
DPND-PHENYLALANINEA,B1ORF0.8
DPND-PHENYLALANINEI1IHS0.8
DPND-PHENYLALANINEP1MCC0.8
DPND-PHENYLALANINEA2RMD0.8
DPND-PHENYLALANINEA2JQB0.8
DPND-PHENYLALANINEI2HPQ0.8
DPND-PHENYLALANINEC,E,F1SHH0.8
DPND-PHENYLALANINEA,I1CVR0.8
DPND-PHENYLALANINEL,P1AUT0.8
DPND-PHENYLALANINEP1MCI0.8
DPND-PHENYLALANINEH,I3F6U0.8
DPND-PHENYLALANINEA1BFW0.8
DPND-PHENYLALANINEH,I1HAI0.8
DPND-PHENYLALANINEB,C2THF0.8
DPND-PHENYLALANINEI1IHT0.8
DPND-PHENYLALANINEA,P1MCJ0.8
DPND-PHENYLALANINEA1TKH0.8
DPND-PHENYLALANINEC,H,L,T2FIR0.8
DPND-PHENYLALANINEA2FMZ0.8
DPND-PHENYLALANINEA1YL90.8
DPND-PHENYLALANINEI1HUT0.8
DPND-PHENYLALANINEI1FXY0.8
DPND-PHENYLALANINEA1YL80.8
DPND-PHENYLALANINEC,H,L1QFK0.8
DPND-PHENYLALANINEP1MCB0.8
NDLN-BENZOYL-L-NORLEUCYL-L-LYSYL-L-
ARGINYL-L-ARGININE
B2FP70.74
16UN-(3-chlorobenzyl)-1-(4-methylpentanoyl)-
L-prolinamide
H,I3DT00.72
WRGN~2~-acetyl-N~5~-[N-(methylcarbamoyl)carbamimidoyl]-
L-ornithyl-N-methyl-L-phenylalanine
A,B3CHD0.73
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
A,L,M3FEA0.73
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
P1CWD0.73
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
L3FE70.73
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
B2GV20.73
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
B,D1CWE0.73
TIO(2-MERCAPTOMETHYL-3-PHENYL-PROPIONYL)-
GLYCINE
E1ZDP0.77
U11METHYL N-{(2S,3R)-3-AMINO-2-HYDROXY-
3-[4-(TRIFLUOROMETHYL)PHENYL]PROPANOYL}ALANYLGLYCINATE
A2GG00.72
APHP-AMIDINOPHENYL-3-ALANINEE,I1PPC0.74
APHP-AMIDINOPHENYL-3-ALANINEH1ETS0.74
APHP-AMIDINOPHENYL-3-ALANINEH1ETT0.74
APHP-AMIDINOPHENYL-3-ALANINEI1QUR0.74
29U1-[(2R)-2-aminobutanoyl]-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZGX0.7
NALBETA-(2-NAPHTHYL)-ALANINEA,B2ITK0.72
NALBETA-(2-NAPHTHYL)-ALANINEH,I4THN0.72
NALBETA-(2-NAPHTHYL)-ALANINEA,B2Q5A0.72
NALBETA-(2-NAPHTHYL)-ALANINEA1ZWU0.72
NALBETA-(2-NAPHTHYL)-ALANINEA1SKL0.72
NALBETA-(2-NAPHTHYL)-ALANINEH,I5GDS0.72
NALBETA-(2-NAPHTHYL)-ALANINEA1ZH00.72
NALBETA-(2-NAPHTHYL)-ALANINEA,B2JT90.72
PHMPHENYLALANYLMETHANEA,I1PJP0.72
PHMPHENYLALANYLMETHANEA,B,C2J9J0.72
PHMPHENYLALANYLMETHANEA,B,C2JE40.72
TINA,B1N940.72
2SK(1R,2R,3R,4S,5R)-4-(BENZYLAMINO)-
5-(METHYLTHIO)CYCLOPENTANE-1,2,3-
TRIOL
A2F7P0.71
CLBD-PARA-CHLOROPHENYL-1-ACETAMIDOBORONIC ACID ALANINEA1VSB0.74
SBDD-NAPHTHYL-1-ACETAMIDO BORONIC ACID ALANINEA3VSB0.73
DI2AC-(D)PHE-PRO-BOROLYS-OHH1LHD0.71
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A,B,M,N1FJM0.72
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1EVA0.72
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1LCM0.72
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A,B,C,D,E,F,
G,H
2NYM0.72
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
C,I2IE30.72
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
C,F,X,Y2NPP0.72
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1EVC0.72
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
C,F,G,H3DW80.72
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A,B,C,D,E,F,
G,H
2NYL0.72
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1EVD0.72
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1EVB0.72
RL2N-[3-CARBOXY-2-HYDROXY-PROPIONYL]-
L-HOMOPHENYLALANYL-AMINO-2-METHYLBUTANE
A1EWM0.74