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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03307251

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,I2H9H0.78
BBLN-[(BENZYLOXY)CARBONYL]-L-ALANINEA,I2HAL0.78
BBLN-[(BENZYLOXY)CARBONYL]-L-ALANINEA2A4O0.78
BBLN-[(BENZYLOXY)CARBONYL]-L-ALANINEA,I2H6M0.78
BBLN-[(BENZYLOXY)CARBONYL]-L-ALANINEA2CXV0.78
PG9D-PHENYLGLYCINEA,B,G,H10GS0.7
PG9D-PHENYLGLYCINEA,B,C,D2B4K0.7
F3G3-[2-(2-BENZYLOXYCARBONYLAMINO-
3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]-
4-OXO-PENTANOIC ACID		A2HBY0.74
F3G3-[2-(2-BENZYLOXYCARBONYLAMINO-
3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]-
4-OXO-PENTANOIC ACID		A2H4Y0.74
F3G3-[2-(2-BENZYLOXYCARBONYLAMINO-
3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]-
4-OXO-PENTANOIC ACID		A2HBR0.74
F3G3-[2-(2-BENZYLOXYCARBONYLAMINO-
3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]-
4-OXO-PENTANOIC ACID		A2H4W0.74
F3G3-[2-(2-BENZYLOXYCARBONYLAMINO-
3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]-
4-OXO-PENTANOIC ACID		A2H480.74
F3G3-[2-(2-BENZYLOXYCARBONYLAMINO-
3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]-
4-OXO-PENTANOIC ACID		A2H540.74
F3G3-[2-(2-BENZYLOXYCARBONYLAMINO-
3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]-
4-OXO-PENTANOIC ACID		A2H510.74
F3G3-[2-(2-BENZYLOXYCARBONYLAMINO-
3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]-
4-OXO-PENTANOIC ACID		A2HBZ0.74
F3G3-[2-(2-BENZYLOXYCARBONYLAMINO-
3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]-
4-OXO-PENTANOIC ACID		A2HBQ0.74
MX4{1-[4-(BENZYLOXY)-4-OXOBUTANOYL]HYDRAZINO}ACETIC ACIDI2C2M0.72
ZRABENZOYL-ARGININE-ALANINE-METHYL KETONEA2AIM0.74
4PH4-methyl-L-phenylalanineB,C3BV90.7
SB31,3-DIPHENYL-1-PROPYL-1-(3,3-DIMETHYL-
1,2-DIOXYPENTYL)-2-PIPERIDINE CARBOXYLATE		A1FKG0.73
B1L3-[(4-HYDROXYBENZOYL)AMINO]AZEPAN-
4-YL 4-HYDROXYBENZOATE		A1REJ0.71
73VBENZYL N-({(2S,3S)-3-[(PROPYLAMINO)CARBONYL]OXIRAN-
2-YL}CARBONYL)-L-ISOLEUCYL-L-PROLINATE		A2DC60.72
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
0E3N-acetyl-L-valyl-O-benzyl-L-threonyl-
N-[(1R)-2-oxo-1-{[(3S)-2-oxopyrrolidin-
3-yl]methyl}propyl]-L-leucinamide		A2Z3C0.72
NBLN2-[(BENZYLOXY)CARBONYL]-N1-[(3S)-
1-CYANOPYRROLIDIN-3-YL]-L-LEUCINAMIDE		A1YK70.74
RBE3-(BENZOYLOXY)-8-AZA-BICYCLO[3.2.1]OCTANE-
2-CARBOXYLIC ACID		H1RIU0.79
ZAHN-[(BENZYLOXY)CARBONYL]-L-ALANYL-
L-PROLINE		A,B2BKL0.75
CT21-(PHENYLMETHYL)CYCLOPENTYL[(1S)-
1-FORMYLPENTYL]CARBAMATE		A2AUZ0.71
ALZH,I1AFE0.71
MCG(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINEA,B1ISS0.72
ZAEN-methyl-D-phenylalanineH,I,R1TBZ0.75
LLG2-aminoethyl naphthalen-1-ylacetateA3BC40.71
1BHN-BENZYLOXYCARBONYL-ALA-PRO-3-AMINO-
4-PHENYL-BUTAN-2-OL		A1BH60.7
2TN2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDEA2OTF0.72
2TN2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDEA2NUV0.72
2TN2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDEA2OUB0.72
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
NLTN-DODECANOYL-L-TYROSINEA,B,C,D,E,F,
G,H		2G0B0.71
PMEN-L-ALPHA-ASPARTYL L-PHENYLALANINE 1-
METHYL ESTER		H,L1A8J0.71
NDFN-(CARBOXYCARBONYL)-D-PHENYLALANINEA1YCI0.71
ZU3N-[(benzyloxy)carbonyl]-3-[(2,2-
dimethylpropanoyl)amino]-L-alanyl-
N-[(1R)-4-oxo-1-{[(3S)-2-oxopyrrolidin-
3-yl]methyl}pentyl]-L-leucinamide		A2ZU40.71
ZU3N-[(benzyloxy)carbonyl]-3-[(2,2-
dimethylpropanoyl)amino]-L-alanyl-
N-[(1R)-4-oxo-1-{[(3S)-2-oxopyrrolidin-
3-yl]methyl}pentyl]-L-leucinamide		A2ZU30.71
TB1(3S)-3-(BENZYLOXY)-L-ASPARTIC ACIDA,B,C2NWW0.7
2PMN-[2-(BENZHYDRYLOXY)ETHYL]-N,N-
DIMETHYLAMINE		A,B2AOT0.7
4BA4-[(2-CARBOXY-ETHYLAMINO)-METHYL]-
BENZOIC ACID		C1FAV0.77
3B42-(cyclohexylamino)benzoic acidA,B3B4P0.71
PBFPARA-(BENZOYL)-PHENYLALANINEA2FR90.71
PBFPARA-(BENZOYL)-PHENYLALANINEA,B1EEN0.71
PBFPARA-(BENZOYL)-PHENYLALANINEA2HGZ0.71
PBFPARA-(BENZOYL)-PHENYLALANINEA2FRB0.71
MYEN2-({[(4-BROMOPHENYL)METHYL]OXY}CARBONYL)-
N1-[(1S)-1-FORMYLPENTYL]-L-LEUCINAMIDE		A1SNK0.72
PHX4-{[(Z)-(5-OXO-2-PHENYL-1,3-OXAZOL-
4(5H)-YLIDENE)METHYL]AMINO}BUTANOIC ACID		H,J2UUD0.71
PHX4-{[(Z)-(5-OXO-2-PHENYL-1,3-OXAZOL-
4(5H)-YLIDENE)METHYL]AMINO}BUTANOIC ACID		H2CJU0.71
4MA4-METHYLBENZOIC ACIDA,H2HRG0.71
SDK1,3-BIS[[N-[(PHENYLMETHOXY)CARBONYL]-
L-LEUCYL]AMINO]-2-PROPANONE		A1AU00.73
0E2N-acetyl-L-valyl-O-benzyl-L-threonyl-
N-[(1R,2R)-2-hydroxy-1-{[(3R)-2-
oxopyrrolidin-3-yl]methyl}propyl]-
L-leucinamide		A2Z3C0.7
HC7(2S)-2-[4'-({dimethyl[2-(phosphonooxy)ethyl]ammonio}acetyl)biphenyl-
4-yl]-2-hydroxy-4,4-dimethylmorpholin-
4-ium		A3FEG0.7
MPQN-METHYL-ALPHA-PHENYL-GLYCINED1D6E0.74
Y15N-[(1S)-2-{[(1R)-2-(benzyloxy)-
1-cyano-1-methylethyl]amino}-1-
(cyclohexylmethyl)-2-oxoethyl]morpholine-
4-carboxamide		A,B2R9O0.72
BJH1(R)-1-ACETAMIDO-2-(3-CARBOXY-2-
HYDROXYPHENYL)ETHYL BORONIC ACID		A1ERQ0.7
4AF4-ACETYL-L-PHENYLALANINEA1ZH60.74
HMF2-AMINO-4-PHENYL-BUTYRIC ACIDI,J1AY60.7
CT1(1R)-2-METHYL-1-(PHENYLMETHYL)PROPYL[(1S)-
1-FORMYLPENTYL]CARBAMATE		A2AUX0.72
HPEHOMOPHENYLALANINEA,B1B1H0.7
BZMBENZOIC ACID PHENYLMETHYLESTERA,B1DZM0.78
ZU5N-[(benzyloxy)carbonyl]-O-tert-
butyl-L-threonyl-N-[(1R)-4-cyclopropyl-
4-oxo-1-{[(3S)-2-oxopyrrolidin-
3-yl]methyl}butyl]-L-leucinamide		A2ZU50.72
KI23-BENZYLOXYCARBONYLAMINO-2-HYDROXY-
4-PHENYL-BUTYRIC ACID		A,B,I,J1NH00.74
KI23-BENZYLOXYCARBONYLAMINO-2-HYDROXY-
4-PHENYL-BUTYRIC ACID		I1U8G0.74
APD3-METHYLPHENYLALANINEA,B,C1GMY0.7
AG6N-[(benzyloxy)carbonyl]-L-alpha-
glutamyl-N-[(1S)-4-oxo-4-phenyl-
1-propylbut-2-en-1-yl]-L-phenylalaninamide		A3FRZ0.72
MP2N-[(BENZYLOXY)CARBONYL]-L-CYSTEINYLGLYCINEA,B2FU90.74
BLNMORPHOLINE-4-CARBOXYLIC ACID [1S-
(2-BENZYLOXY-1R-CYANO-ETHYLCARBAMOYL)-
3-METHYL-BUTYL]AMIDE		A1MS60.74
ESYbenzyl N-[(benzyloxy)carbonyl]-
L-alanyl-N~6~-[(2R,3S,4S)-3-formyl-
2-hydroxy-4-methylhexanoyl]-L-lysinate		K,Y3E470.71
BO9N1-[(1R)-1-(DIHYDROXYBORYL)ETHYL]-
N2-[(TERT-BUTOXYCARBONYL)-D-GAMMA-
GLUTAMYL]-N6-[(BENZYLOXY)CARBONYL-
L-LYSINAMIDE		A1Z6F0.73
FRFPHE-REDUCED-PHEA,I1GVX0.71
ALDCARBOBENZYLOXYLEUCINYL-LEUCINYL-
LEUCINAL		A1BP40.76
MN71-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZENEN1NLO0.8
SEM3-AMINO-4-OXYBENZYL-2-BUTANONEA,B1THE0.78
ANMANISOMYCIN1,2,4,A,B,C,
D,E,J,K,L,M,
N,O,P,R,S,T,
U,V,Z		1K730.7
ANMANISOMYCIN0,1,3,9,A,B,
C,F,H,J,K,L,
M,N,O,Q,R,S,
T,U,Y,Z		3CC40.7
PH52-PHENYL-PROP5ACA,B2BVE0.7
ZFB(3R)-3-{[(BENZYLOXY)CARBONYL]AMINO}-
2-OXO-4-PHENYLBUTANE-1-DIAZONIUM		A,B,C,D1PVJ0.76
OBE3-(3-HYDROXY-BENZOYLOXY)-8-METHYL-
8-AZA-BICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID		H1RIV0.7
LOBLOBELINEA,B,C,D,E,F,
G,H,I,J		2BYS0.72
INT[[PHENYLMETHYLOXY-CARBONYL]-ALANINYL]-
VALINYL-[PHENYL-1-HYDROXYPROP-2-
YL]-AMINE		A3TLH0.73
INT[[PHENYLMETHYLOXY-CARBONYL]-ALANINYL]-
VALINYL-[PHENYL-1-HYDROXYPROP-2-
YL]-AMINE		A1B110.73
INT[[PHENYLMETHYLOXY-CARBONYL]-ALANINYL]-
VALINYL-[PHENYL-1-HYDROXYPROP-2-
YL]-AMINE		A6FIV0.73
INT[[PHENYLMETHYLOXY-CARBONYL]-ALANINYL]-
VALINYL-[PHENYL-1-HYDROXYPROP-2-
YL]-AMINE		A5FIV0.73
INT[[PHENYLMETHYLOXY-CARBONYL]-ALANINYL]-
VALINYL-[PHENYL-1-HYDROXYPROP-2-
YL]-AMINE		A2HAH0.73
0A9methyl L-phenylalaninateA1AY20.76
0A9methyl L-phenylalaninateI5ER10.76
0A9methyl L-phenylalaninateI,P1HDT0.76
MTJN,O-DIMETHYL-L-TYROSINEA,B1ATL0.76
S2DN-BENZOYL-D-ALANINEA,B2JCI0.73
WR1NALPHA-[(BENZYLOXY)CARBONYL]-N-
[(1R)-4-HYDROXY-1-METHYL-2-OXOBUTYL]-
L-PHENYLALANINAMIDE		A,B2OP90.72
ZYZ(4-{(2S)-2-[(tert-butoxycarbonyl)amino]-
3-methoxy-3-oxopropyl}phenyl)methaneseleninic acid		A3D9C0.73
MEAN-METHYLPHENYLALANINEA2PIL0.75
MEAN-METHYLPHENYLALANINEA,B,C,D1H0I0.75
MEAN-METHYLPHENYLALANINEA,B,I1DOJ0.75
BJI1(R)-1-ACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACIDA1ERM0.78
BCG3-(BENZOYLOXY)-8-METHYL-8-AZABICYCLO[3.2.1]OCTANE-
2-CARBOXYLIC ACID		H1QYG0.73
DRS(9S,12S)-9-(1-methylethyl)-7,10-
dioxo-2-oxa-8,11-diazabicyclo[12.2.2]octadeca-
1(16),14,17-triene-12-carboxylic acid		A,B3BXS0.71
959benzyl (2-oxopropyl)carbamateA3D620.74
K2Zbenzyl [(1S)-1-{[(1S,2S)-1-ethyl-
2-hydroxy-3-{[3-(4-methylpiperazin-
1-yl)propyl]amino}-3-oxopropyl]carbamoyl}-
3-methylbutyl]carbamate		A2R9F0.7
COCCOCAINEA,C1I7Z0.75
COCCOCAINEH1Q720.75
COCCOCAINEL2AJV0.75
COCCOCAINEA,B,C,D,E2PGZ0.75
SBACARBOBENZYLOXY-(L)-LEUCINYL-(L)LEUCINYL METHOXYMETHYLKETONEA1BQI0.72
1PAPHENYLMETHYLACETIC ACID ALANINEI1BHF0.71
PCM1-[N[(PHENYLMETHOXY)CARBONYL]-L-
LEUCYL-4-[[N/N-[(PHENYLMETHOXY)CARBONYL]-
/NL-LEUCYL]AMINO]-3-PYRROLIDINONE/N		A1AU30.7
186[1-(1-METHYL-4,5-DIOXO-PENT-2-ENYLCARBAMOYL)-
2-PHENYL-ETHYL]-CARBAMIC ACID BENZYL ESTER		X1U9Q0.76
BJP(1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACIDA1ERO0.76
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