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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00483427

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
REXGLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-
D-ALANYL-D-ALANINE
A1IKG0.71
ZRGN~2~-acetyl-N-methyl-N~5~-[N-(methylcarbamoyl)carbamimidoyl]-
L-ornithinamide
A,B3CHC0.7
GND2-AMINO-5-GUANIDINO-PENTANOIC ACIDA1NBK0.73
C6LN-hexanoyl-L-homoserineA3DHA0.71
C6LN-hexanoyl-L-homoserineA3DHB0.71
THCN-METHYLCARBONYLTHREONINEA,B,C1A7C0.7
THCN-METHYLCARBONYLTHREONINEB2HR00.7
THCN-METHYLCARBONYLTHREONINEL,P2MPA0.7
THCN-METHYLCARBONYLTHREONINEL,P1MPA0.7
SJ1N-(ISOBUTOXYCARBONYL)-D-SERYL-N-
((1S)-4-{[AMINO(IMINO)METHYL]AMINO}-
1-FORMYLBUTYL)-L-ALANINAMIDE
U1W100.82
EP2methyl N-[(2S)-4-{[(1S)-1-{[(2S)-
2-carboxypyrrolidin-1-yl]carbonyl}-
3-methylbutyl]amino}-2-hydroxy-
4-oxobutanoyl]-L-leucylglycylglycinate
B1SP40.7
AORN~2~-ACETYL-L-ORNITHINEA1ZQ60.71
OLN(S)-2-ACETAMIDO-5-UREIDOPENTANOIC ACIDA1YH10.78
5FP5,5,5-TRIFLUORO-3-HYDROXY-4-[2-
(5,5,5-TRIFLUORO-3-HYDROXY-4-{3-
METHYL-2-[3-METHYL-2-(3-METHYL-
BUTYRYLAMINO)-BUTYRYLAMINO]-BUTYRYLAMINO}-
PENTANOYLAMINO)-PROPIONYLAMINO]-
PENTANOIC ACID
A,B1XE60.73
GNA2,4-DEOXY-4-GUANIDINO-5-N-ACETYL-
NEURAMINIC ACID
A2QWE0.73
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A1AEC0.82
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A,B2PRE0.82
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A1CV80.82
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A3C9E0.82
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A,B3BCN0.82
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A1ATK0.82
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A,B,C,D3BPF0.82
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A1TLO0.82
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A1QX60.82
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A1MEG0.82
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A,B,C,D2BDZ0.82
MGG2-(2-CARBOXY-ACETYLAMINO)-5-GUANIDINO-
PENTANOIC ACID
A1CVQ0.88
DARD-ARGININEA,B2Q330.73
DARD-ARGININEA,B,E,F,G,H1MHW0.73
DARD-ARGININEA2JUE0.73
DARD-ARGININEH,I1A4W0.73
DARD-ARGININEA1BDK0.73
DARD-ARGININEA1CWZ0.73
DARD-ARGININEB1CFA0.73
DARD-ARGININEB,C3BV90.73
DARD-ARGININEA1CVQ0.73
DARD-ARGININEA1P520.73
DARD-ARGININEA,D1CZQ0.73
DARD-ARGININEA1CW80.73
DARD-ARGININEA,B,C,D3BOG0.73
DARD-ARGININEA1BFW0.73
DARD-ARGININEA1BG00.73
CMAN2-(CARBOXYETHYL)-L-ARGININEA,B1JGT0.81
SVCN-ACETYL-L-LEUCYL-N-[(1S)-4-{[AMINO(IMINO)METHYL]AMINO}-
1-(HYDROXYMETHYL)BUTYL]-L-LEUCINAMIDE
A,B3BPM0.82
LNTN-[(2S)-2-amino-1,1-dihydroxy-4-
methylpentyl]-L-threonine
A,B,C3B800.72
LNTN-[(2S)-2-amino-1,1-dihydroxy-4-
methylpentyl]-L-threonine
A,B,C3B7V0.72
M3RMethyl phosphonated L-ArginineA3GNH0.71
CLH2-AMINO-6-[2-(2-OXO-ACETYLAMINO)-
ACETYLAMINO]-HEXANOIC ACID
A,B1K090.7
NMM(R)-2-AMINO-5-(3-METHYLGUANIDINO)BUTANOIC ACIDA,B,D,E2V850.75
SUJ(2R,3R)-2-[(3S,6R)-3-AMINO-6-HYDROXY-
2-OXOPIPERIDINYL]-3-HYDROXYBUTANOIC ACID
C,D1OKX0.79
2NCN-{(2S)-2-[(N-acetyl-L-threonyl-
L-isoleucyl)amino]hexyl}-L-norleucyl-
L-glutaminyl-L-argininamide
A,B3BVA0.78
AGM5-METHYL-ARGININEA,B,C,D,E,F1HBO0.71
AGM5-METHYL-ARGININEA,C,D,F1MRO0.71
AGM5-METHYL-ARGININEA,C,D,F1E6Y0.71
AGM5-METHYL-ARGININEA,B,C,D,E,F1HBM0.71
AGM5-METHYL-ARGININEA,B,C,D,E,F1HBN0.71
AGM5-METHYL-ARGININEA,B,C,D,E,F1HBU0.71
2MRN3, N4-DIMETHYLARGININEA,B,D,E2V870.73
2MRN3, N4-DIMETHYLARGININEA,B,D,F2V880.73
2MRN3, N4-DIMETHYLARGININEA1G4H0.73
2MRN3, N4-DIMETHYLARGININEA1G420.73
2MRN3, N4-DIMETHYLARGININEA1G5F0.73
HARN-OMEGA-HYDROXY-L-ARGININEX2FBZ0.72
HARN-OMEGA-HYDROXY-L-ARGININEA,B1DWW0.72
HARN-OMEGA-HYDROXY-L-ARGININEA,B3NOS0.72
HARN-OMEGA-HYDROXY-L-ARGININEA,B1DWV0.72
HARN-OMEGA-HYDROXY-L-ARGININEA,B1DWX0.72
HARN-OMEGA-HYDROXY-L-ARGININEA,B5NSE0.72
HARN-OMEGA-HYDROXY-L-ARGININEA,B2FC20.72
HARN-OMEGA-HYDROXY-L-ARGININEA1M7Z0.72
HARN-OMEGA-HYDROXY-L-ARGININEA,B,C1HQF0.72
HARN-OMEGA-HYDROXY-L-ARGININEA,B1LZX0.72
PCV5-AMINO-3-HYDROXY-2-(2-OXO-AZETIDIN-
1-YL)-PENTANOIC ACID
A1DRT0.75
BCZ3-(1-ACETYLAMINO-2-ETHYL-BUTYL)-
4-GUANIDINO-2-HYDROXY-CYCLOPENTANECARBOXYLIC ACID
A1L7G0.72
BCZ3-(1-ACETYLAMINO-2-ETHYL-BUTYL)-
4-GUANIDINO-2-HYDROXY-CYCLOPENTANECARBOXYLIC ACID
A2HTU0.72
BCZ3-(1-ACETYLAMINO-2-ETHYL-BUTYL)-
4-GUANIDINO-2-HYDROXY-CYCLOPENTANECARBOXYLIC ACID
A2F100.72
BCZ3-(1-ACETYLAMINO-2-ETHYL-BUTYL)-
4-GUANIDINO-2-HYDROXY-CYCLOPENTANECARBOXYLIC ACID
A1L7H0.72
BCZ3-(1-ACETYLAMINO-2-ETHYL-BUTYL)-
4-GUANIDINO-2-HYDROXY-CYCLOPENTANECARBOXYLIC ACID
A1L7F0.72
VION5-(1-IMINO-3-BUTENYL)-L-ORNITHINEA,B1MMW0.71
AROC-GAMMA-HYDROXY ARGININEA,B,C,D,E,F1FFV0.8
AROC-GAMMA-HYDROXY ARGININEA,B,C,D,E,F1FFU0.8
DA2NG,NG-DIMETHYL-L-ARGININEA,C,P,R2VPG0.75
DA2NG,NG-DIMETHYL-L-ARGININEA,B7NSE0.75
DA2NG,NG-DIMETHYL-L-ARGININEA,B,D,E2V860.75
DA2NG,NG-DIMETHYL-L-ARGININED2B2U0.75
ZZU(2S,3S)-HYDROXYARGININEA2WBQ0.83
ZZU(2S,3S)-HYDROXYARGININEA2WBP0.83
074[PROPYLAMINO-3-HYDROXY-BUTAN-1,4-
DIONYL]-ISOLEUCYL-PROLINE
A1QDQ0.76
AS1ARGININOSUCCINATEA,B,C,D1TJW0.76
AS1ARGININOSUCCINATED1DCN0.76
AS1ARGININOSUCCINATEA,B,C,D1K7W0.76
AS1ARGININOSUCCINATEA,B,C,D1J200.76
AAGN-ALPHA-L-ACETYL-ARGININEA1DRY0.86
CLG2-AMINO-6-[2-(2-AMINOOXY-ACETYLAMINO)-
ACETYLAMINO]-HEXANOIC ACID
A,B1K090.72
CSIAMINO-(2-IMINO-HEXAHYDRO-PYRIMIDIN-
4-YL)-ACETIC ACID
A,B1KE20.72
IHNN-(3-methylbutanoyl)-L-valyl-N-
[(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)-
2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)-
1-methyl-2-oxoethyl]amino}-2-hydroxy-
1-(2-methylpropyl)-4-oxobutyl]-
L-valinamide
A3EMY0.7
IHNN-(3-methylbutanoyl)-L-valyl-N-
[(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)-
2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)-
1-methyl-2-oxoethyl]amino}-2-hydroxy-
1-(2-methylpropyl)-4-oxobutyl]-
L-valinamide
A2H6T0.7
IHNN-(3-methylbutanoyl)-L-valyl-N-
[(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)-
2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)-
1-methyl-2-oxoethyl]amino}-2-hydroxy-
1-(2-methylpropyl)-4-oxobutyl]-
L-valinamide
A,B1LS50.7
IHNN-(3-methylbutanoyl)-L-valyl-N-
[(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)-
2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)-
1-methyl-2-oxoethyl]amino}-2-hydroxy-
1-(2-methylpropyl)-4-oxobutyl]-
L-valinamide
A,B1SME0.7
IHNN-(3-methylbutanoyl)-L-valyl-N-
[(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)-
2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)-
1-methyl-2-oxoethyl]amino}-2-hydroxy-
1-(2-methylpropyl)-4-oxobutyl]-
L-valinamide
A,C1W6I0.7
IHNN-(3-methylbutanoyl)-L-valyl-N-
[(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)-
2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)-
1-methyl-2-oxoethyl]amino}-2-hydroxy-
1-(2-methylpropyl)-4-oxobutyl]-
L-valinamide
A,B1XDH0.7
IHNN-(3-methylbutanoyl)-L-valyl-N-
[(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)-
2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)-
1-methyl-2-oxoethyl]amino}-2-hydroxy-
1-(2-methylpropyl)-4-oxobutyl]-
L-valinamide
A,B2QZX0.7
IHNN-(3-methylbutanoyl)-L-valyl-N-
[(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)-
2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)-
1-methyl-2-oxoethyl]amino}-2-hydroxy-
1-(2-methylpropyl)-4-oxobutyl]-
L-valinamide
A1IZE0.7
IHNN-(3-methylbutanoyl)-L-valyl-N-
[(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)-
2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)-
1-methyl-2-oxoethyl]amino}-2-hydroxy-
1-(2-methylpropyl)-4-oxobutyl]-
L-valinamide
A,B1M430.7
3ARN-OMEGA-PROPYL-L-ARGININEA1QW60.76
3ARN-OMEGA-PROPYL-L-ARGININEA,B1QW40.76
3ARN-OMEGA-PROPYL-L-ARGININEA,B1MMV0.76
AHE2-AMINO-4-[1-CARBOXYMETHYL-CARBAMOYL)-
2-HYDROXYMETHYLSULFANYL-ETHYLCARBAMOYL]-
BUTYRIC ACID
A3BHM0.7
AHE2-AMINO-4-[1-CARBOXYMETHYL-CARBAMOYL)-
2-HYDROXYMETHYLSULFANYL-ETHYLCARBAMOYL]-
BUTYRIC ACID
A,B1MC50.7
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE
A1PPP0.72
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE
A1PE60.72
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE
A1ITO0.72
5FE5,5,5-TRIFLUORO-3-HYDROXY-4-[2-
(5,5,5-TRIFLUORO-3-HYDROXY-4-{3-
METHYL-2-[3-METHYL-2-(3-METHYL-
BUTYRYLAMINO)-BUTYRYLAMINO]-BUTYRYLAMINO}-
PENTANOYLAMINO)-PROPIONYLAMINO]-
PENTANOIC ACID METHYL ESTER
A,B1XE50.72
C99{(2R)-2-[(1S,2R)-1-AMINO-2-HYDROXYPROPYL]-
2-HYDROXY-4,5-DIOXOIMIDAZOLIDIN-
1-YL}ACETIC ACID
A2HCG0.7
D20N~5~-{IMINO[(2-METHOXYETHYL)AMINO]METHYL}-
L-ORNITHINE
A,B2JAJ0.78
Y191-deoxy-1-{[(5S)-2,6-dioxo-5-(propanoylamino)-
1,2,5,6-tetrahydropyrimidin-4-yl]amino}-
D-ribitol
A,B,C,D,E,F,
G,H,I,J
2VI50.72
PCXDEOXYGUANIDINOPROCLAVAMINIC ACIDA1GVG0.8
PCXDEOXYGUANIDINOPROCLAVAMINIC ACIDA,B1MC10.8
1691-(4-TERT-BUTYLCARBAMOYL-PIPERAZINE-
1-CARBONYL)-3-(3-GUANIDINO-PROPYL)-
4-OXO-AZETIDINE-2-CARBOXYLIC ACID
A1RXP0.7
SUGN~2~-(3-CARBOXYPROPANOYL)-L-ARGININEA,B,C,D1YNI0.82
SUGN~2~-(3-CARBOXYPROPANOYL)-L-ARGININEA2P8C0.82