Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03927055
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
---|---|---|---|---|---|
Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
BI6 | (3S,6S,7Z,10AS)-N-(DIPHENYLMETHYL)- 6-{[(2S)-2-(METHYLIDENEAMINO)BUTANOYL]AMINO}- 5-OXO-1,2,3,5,6,9,10,10A-OCTAHYDROPYRROLO[1,2- A]AZOCINE-3-CARBOXAMIDE | A | 2JK7 | 0.71 | |
3BP | 2-(3-BIPHENYL-4-YL-2-ETHANESULFONYLAMINO- PROPIONYLAMINO)-PENTANEDIOIC ACID 5- AMIDE 1-(4-CARBAMIMIDOYL-BENZYLAMIDE) | H,L | 1WTG | 0.71 | |
BPO | 3-[(Z)-AMINO(IMINO)METHYL]-N-[2- (4-BENZOYL-1-PIPERIDINYL)-2-OXO- 1-PHENYLETHYL]BENZAMIDE | A | 1EB2 | 0.7 | |
BFB | N-[(1S)-1-(AMINOCARBONYL)-4-(ETHANIMIDOYLAMINO)BUTYL]BENZAMIDE | A | 2DW5 | 0.72 | |
FON | FOLINIC ACID | A,B | 1QD1 | 0.7 | |
FON | FOLINIC ACID | A,B | 2BLN | 0.7 | |
FON | FOLINIC ACID | A,B,C,D | 1VRQ | 0.7 | |
FON | FOLINIC ACID | A,B | 1KL2 | 0.7 | |
FON | FOLINIC ACID | A,B | 1XZQ | 0.7 | |
UN6 | (3-{[3-(3-SULFOAMINO-PHENYL)-PROPIONYLAMINO]- METHYL}-PHENYL)-SULFAMIC ACID | A | 2F70 | 0.74 | |
23U | beta-phenyl-D-phenylalanyl-N-(3- chlorobenzyl)-L-prolinamide | H,I | 3DHK | 0.7 | |
CRI | A,B | 1VKG | 0.73 | ||
MID | N==ALPHA==(2-NAPHTHYL-SULFONYL- GLYCYL)-PARA-AMIDINOPHENYL-ALANYL- PIPERIDINE | H | 1DWD | 0.71 | |
LFN | LUMIFLAVIN | A | 2CCC | 0.72 | |
155 | 6-[(Z)-AMINO(IMINO)METHYL]-N-(1- ISOPROPYL-3,4-DIHYDROISOQUINOLIN- 7-YL)-2-NAPHTHAMIDE | A | 1OWJ | 0.76 | |
D7P | D-PHENYLALANYL-N~5~-[(2,2-DIHYDROXYHYDRAZINO)(IMINO)METHYL]- D-ORNITHINAMIDE | A,B | 1RS7 | 0.72 | |
D7P | D-PHENYLALANYL-N~5~-[(2,2-DIHYDROXYHYDRAZINO)(IMINO)METHYL]- D-ORNITHINAMIDE | A,B | 1RS9 | 0.72 | |
AEN | 5-(1-SULFONAPHTHYL)-ACETYLAMINO- ETHYLAMINE | A | 1RAR | 0.72 | |
AEN | 5-(1-SULFONAPHTHYL)-ACETYLAMINO- ETHYLAMINE | A | 1RAS | 0.72 | |
1C2 | 3(S)-METHYLCARBAMOYL-7-SULFOAMINO- 3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT- BUTYL ESTER | A | 2F6T | 0.73 | |
239 | 6-[(Z)-AMINO(IMINO)METHYL]-N-[4- (AMINOMETHYL)PHENYL]-2-NAPHTHAMIDE | A | 1OWH | 0.81 | |
GAS | B,H | 1ETZ | 0.74 | ||
GAS | H | 2CGR | 0.74 | ||
009 | (4S)-1,4-dibenzyl-N-[(1S,2R)-1- benzyl-3-{[3-(dimethylamino)benzyl]amino}- 2-hydroxypropyl]-2-oxoimidazolidine- 4-carboxamide | A,B,C | 3CKR | 0.75 | |
DP7 | AC-(D)PHE-PRO-BOROARG-OH | H | 1LHC | 0.73 | |
SU2 | 3-[4-(1-FORMYLPIPERAZIN-4-YL)-BENZYLIDENYL]- 2-INDOLINONE | A,B | 1AGW | 0.74 | |
4PG | 1-[4-(2-oxo-2-phenylethyl)phenyl]guanidine | U | 2R2W | 0.73 | |
675 | 6-[(Z)-AMINO(IMINO)METHYL]-N-PHENYL- 2-NAPHTHAMIDE | A | 1OWE | 0.77 | |
MC2 | N2-(L-PHENYLALANYL)-N1-(NAPHTHALENYL)- L-ARIGNINAMIDE | A | 1T9Y | 1 | |
NKK | N~2~-(naphthalen-2-ylcarbonyl)- L-lysyl-N-[(1S)-4-carbamimidamido- 1-formylbutyl]-L-lysinamide | B,D | 3E90 | 0.78 | |
THG | (6S)-5,6,7,8-TETRAHYDROFOLATE | A,B | 1KZI | 0.72 | |
THG | (6S)-5,6,7,8-TETRAHYDROFOLATE | A | 1M7Z | 0.72 | |
THG | (6S)-5,6,7,8-TETRAHYDROFOLATE | A | 3BHR | 0.72 | |
THG | (6S)-5,6,7,8-TETRAHYDROFOLATE | A | 3GSI | 0.72 | |
THG | (6S)-5,6,7,8-TETRAHYDROFOLATE | A | 1M7V | 0.72 | |
THG | (6S)-5,6,7,8-TETRAHYDROFOLATE | A,B | 3BHL | 0.72 | |
THG | (6S)-5,6,7,8-TETRAHYDROFOLATE | A | 1U22 | 0.72 | |
THL | N-[4-({[(6S)-2-AMINO-4-OXO-1,4,5,6,7,8- HEXAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]- L-GLUTAMIC ACID | A | 3G5R | 0.71 | |
THL | N-[4-({[(6S)-2-AMINO-4-OXO-1,4,5,6,7,8- HEXAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]- L-GLUTAMIC ACID | A | 1WOO | 0.71 | |
32U | D-phenylalanyl-N-{4-[amino(iminio)methyl]benzyl}- L-prolinamide | H,I | 2ZDA | 0.74 | |
BAN | HONH-BENZYLMALONYL-L-ALANYLGLYCINE- P-NITROANILIDE | A | 5TLN | 0.75 | |
GA0 | GLYCYLALANYL-N-2-NAPHTHYL-L-PROLINEAMIDE | A | 2DCM | 0.87 | |
53U | D-phenylalanyl-N-benzyl-L-prolinamide | H,I | 2ZFF | 0.74 | |
TTT | 5-amino-2-methyl-N-[(1R)-1-naphthalen- 1-ylethyl]benzamide | A | 3E9S | 0.8 | |
529 | (2S)-N-[(3Z)-5-CYCLOPROPYL-3H-PYRAZOL- 3-YLIDENE]-2-[4-(2-OXOIMIDAZOLIDIN- 1-YL)PHENYL]PROPANAMIDE | A,C,D | 2BPM | 0.74 | |
SM1 | N-(BENZYLSULFONYL)-D-SERYL-N-(4- {[AMINO(IMINO)METHYL]AMINO}BENZYL)- L-ALANINAMIDE | U | 1W13 | 0.75 | |
FRP | N1-((2S,3S,5R)-3-AMINO-6-(4-FLUOROPHENYLAMINO)- 5-METHYL-6-OXO-1-PHENYLHEXAN-2- YL)-N3,N3-DIPROPYLISOPHTHALAMIDE | A,B,C | 2FDP | 0.76 | |
998 | N-METHYLALANYL-3-METHYLVALYL-N- (1,2,3,4-TETRAHYDRONAPHTHALEN-1- YL)PROLINAMIDE | A | 1TFQ | 0.73 | |
CF4 | [4-(7,8-dimethyl-2,4-dioxo-3,4- dihydrobenzo[g]pteridin-10(2H)- yl)butyl]carbamic acid | A | 2VKG | 0.73 | |
C4H | N-[4-({[5-(DIMETHYLAMINO)-1-NAPHTHYL]SULFONYL}AMINO)BUTYL]- 3-SULFANYLPROPANAMIDE | A,B | 2DOO | 0.71 | |
4CP | 2-[2-(4-CHLORO-PHENYLSULFANYL)- ACETYLAMINO]-3-(4-GUANIDINO-PHENYL)- PROPIONAMIDE | H,I | 2BVR | 0.78 | |
179 | N-[(naphthalen-2-ylamino)(oxo)acetyl]- beta-D-glucopyranosylamine | A | 3CUT | 0.7 | |
26B | O-tert-butyl-N-[(3-{[(2,4,6-trimethylphenyl)carbamoyl]amino}naphthalen- 2-yl)carbonyl]-L-threonine | A,B | 3DDS | 0.72 | |
11U | (S)-N-(4-carbamimidoylbenzyl)-1- (2-(cyclohexylamino)ethanoyl)pyrrolidine- 2-carboxamide | H,I | 3BIV | 0.71 | |
P34 | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE | A,B | 3GEY | 0.77 | |
P34 | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE | A | 3CE0 | 0.77 | |
P34 | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE | A,B | 1XK9 | 0.77 | |
P34 | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE | A | 2Q6M | 0.77 | |
P34 | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE | A,B,C,D,E,F | 1ZM9 | 0.77 | |
730 | (S)-3-(3-(4-(2-GUANIDINOETHYL)PIPERIDIN- 1-YL)-2-(NAPHTHALENE-2-SULFONAMIDO)- 3-OXOPROPYL)BENZIMIDAMIDE | A | 2GV6 | 0.73 | |
SY1 | 2-({2-[(3R)-3-AMINOPIPERIDIN-1- YL]-4-OXOQUINAZOLIN-3(4H)-YL}METHYL)BENZONITRILE | A,B,C,D | 2ONC | 0.73 | |
XXZ | 1-[4-(AMINOMETHYL)BENZOYL]-5'-FLUORO- 1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLIN]- 4'-AMINE | A,B | 3E65 | 0.71 | |
303 | 6-[(Z)-AMINO(IMINO)METHYL]-N-(1- ISOPROPYL-1,2,3,4-TETRAHYDROISOQUINOLIN- 7-YL)-2-NAPHTHAMIDE | A | 1OWK | 0.79 | |
008 | (S)-2-[(R)-3-AMINO-4-(2-FLUORO- PHENYL)-BUTYRYL]-1,2,3,4-TETRAHYDRO- ISOQUINOLINE-3-CARBOXYLIC ACID AMIDE | A,B,C,D | 2BUC | 0.72 | |
IXS | N-[(1S)-1-benzyl-2-{[(1S)-2-(isobutylamino)- 1-methyl-2-oxoethyl]amino}ethyl]- N'-[(1R)-1-(4-fluorophenyl)ethyl]- 5-[methyl(methylsulfonyl)amino]isophthalamide | A | 2QZL | 0.75 | |
RUP | (R)-2-(3-ADAMANTAN-1-YL-UREIDO)- 3-(3-CARBAMIMIDOYL-PHENYL)-N-PHENETHYL- PROPIONAMIDE | A | 1KYE | 0.71 | |
ENT | 3(R)-METHYLCARBAMOYL-7-SULFOAMINO- 3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT- BUTYL ESTER | A | 2F6Y | 0.73 | |
SL1 | N-((1S)-4-{[AMINO(IMINO)METHYL]AMINO}- 1-FORMYLBUTYL)-2-{(3R)-3-[(BENZYLSULFONYL)AMINO]- 2-OXO-5-PHENYL-2,3-DIHYDRO-1H-1,4- BENZODIAZEPIN-1-YL}ACETAMIDE | U | 1W12 | 0.76 | |
C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A | 1U1J | 0.71 | |
C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B | 2OGY | 0.71 | |
C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B | 1XPG | 0.71 | |
C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B | 1TLS | 0.71 | |
C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B,C | 1ZP4 | 0.71 | |
C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B | 2E7F | 0.71 | |
C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A | 1TSN | 0.71 | |
C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B | 2IDK | 0.71 | |
C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B | 1XR2 | 0.71 | |
C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A | 1B02 | 0.71 | |
C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B | 1Q8J | 0.71 | |
4AN | 6-AMINO-BENZO[DE]ISOQUINOLINE-1,3- DIONE | A | 2PAX | 0.72 | |
50U | (S)-N-(4-carbamimidoylbenzyl)-1- (3-cyclohexylpropanoyl)pyrrolidine- 2-carboxamide | A | 2ZDK | 0.72 | |
50U | (S)-N-(4-carbamimidoylbenzyl)-1- (3-cyclohexylpropanoyl)pyrrolidine- 2-carboxamide | H,I | 2ZG0 | 0.72 | |
SMK | (3S,6S,7R,9aS)-6-{[(2S)-2-aminobutanoyl]amino}- 7-(2-aminoethyl)-N-(diphenylmethyl)- 5-oxooctahydro-1H-pyrrolo[1,2-a]azepine- 3-carboxamide | A,B | 3EYL | 0.7 | |
FD3 | N-ALPHA-(2-NAPHTHYLSULFONYL)-3- AMIDINO-L-PHENYLALANINE PIPERAZIDE | A | 1K1L | 0.71 | |
0Z6 | D-phenylalanyl-N-[(1S)-4-{[amino(iminio)methyl]amino}- 1-(chloroacetyl)butyl]-L-phenylalaninamide | H,L | 3ELA | 0.74 | |
33U | beta-phenyl-D-phenylalanyl-N-(4- carbamimidoylbenzyl)-L-prolinamide | H,I | 2ZO3 | 0.76 | |
SII | N-(4-{[4-(cyclohexylamino)-1-(3- fluorophenyl)-2-oxo-1,3,8-triazaspiro[4.5]dec- 3-en-8-yl]methyl}phenyl)acetamide | A | 3FKT | 0.75 | |
27U | N-(4-carbamimidoylbenzyl)-1-(3- phenylpropanoyl)-L-prolinamide | H,I | 2ZHQ | 0.74 | |
UN5 | {3(S)-METHYLCARBAMOYL-2-[3-(3-SULFOAMINO- PHENYL)-PROPIONYL]-1,2,3,4-TETRAHYDRO- ISOQUINOLIN-7-YL}-SULFAMIC ACID | A | 2F6Z | 0.78 | |
L86 | (11S)-11-BENZYL-6-CHLORO-1,2,10,11,12,13,14,15,16,17,18,19- DODECAHYDRO-5,9-METHANO-2,5,8,10,13,17- BENZOHEXAAZACYCLOHENICOSINE-3,24- DIONE | A,B | 1NM6 | 0.73 | |
DBR | ADAMANTANE-1-CARBOXYLIC ACID-5- DIMETHYLAMINO-NAPHTHALENE-1-SULFONYLAMINO- BUTYL-AMIDE | A | 1RF9 | 0.71 | |
2CE | N-[2-(2-CARBAMOYLMETHOXY-ETHOXY)- ETHYL]-2-[2-(4-CHLORO-PHENYLSULFANYL)- ACETYLAMINO]-3-(4-GUANIDINO-PHENYL)- PROPIONAMIDE | H,I | 2BVS | 0.71 | |
FA4 | SM-25453 | A,B | 2D1O | 0.78 | |
FA4 | SM-25453 | A,B | 2D1N | 0.78 | |
AN9 | 1,5-BIS[3-(DIETHYLAMINO)PROPIONAMIDO]ANTHRACENE- 9,10-DIONE | A,B | 1XCU | 0.74 | |
EBW | 4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}- 3-OXOPENTYL)-N,N-DIMETHYL-N-PROP- 2-ENYLBENZENAMINIUM | A | 1E3Q | 0.71 | |
989 | 2-{[4-(2-ACETYLAMINO-2-PENTYLCARBAMOYL- ETHYL)-NAPHTHALEN-1-YL]-OXALYL- AMINO}-BENZOIC ACID | A | 1NL9 | 0.72 | |
RA4 | N-(4-NITROBENZOYL)-L-LEUCYL-N-(4- {[AMINO(IMINO)METHYL]AMINO}BUTYL)- L-PROLINAMIDE | H,I | 1YPM | 0.74 | |
BL5 | A,B | 1RL4 | 0.73 | ||
QIX | N~2~-[(2R)-4-(HYDROXYAMINO)-2-(2- NAPHTHYLMETHYL)-4-OXOBUTANOYL]- L-ARGINYLGLYCYLGLYCINAMIDE | A,B | 3E4A | 0.76 | |
37U | D-phenylalanyl-N-(3-fluorobenzyl)- L-prolinamide | H,I | 2ZDV | 0.72 | |
497 | 6-[AMINO(IMINO)METHYL]-N-[(4R)- 4-ETHYL-1,2,3,4-TETRAHYDROISOQUINOLIN- 6-YL]-2-NAPHTHAMIDE | A | 1OWD | 0.79 | |
44U | beta-phenyl-D-phenylalanyl-N-propyl- L-prolinamide | B,D | 3DA9 | 0.7 | |
DSO | ADAMANTANE-1-CARBOXYLIC ACID-5- DIMETHYLAMINO-NAPHTHALENE-1-SULFONYLAMINO- OCTYL-AMIDE | A | 1LWL | 0.71 | |
DSO | ADAMANTANE-1-CARBOXYLIC ACID-5- DIMETHYLAMINO-NAPHTHALENE-1-SULFONYLAMINO- OCTYL-AMIDE | A | 1RE9 | 0.71 | |
HBN | N-(2-NAPHTHYL)HISTIDINAMIDE | B | 1VEA | 0.72 | |
FEX | A | 1OSH | 0.71 | ||
I50 | N-[2-({[amino(imino)methyl]amino}oxy)ethyl]- 2-{6-chloro-3-[(2,2-difluoro-2- phenylethyl)amino]-2-fluorophenyl}acetamide | B | 2R2M | 0.72 | |
33Z | (2S)-2-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)- 3-[(R)-[(1R)-1-({N-[(BENZYLOXY)CARBONYL]- L-PHENYLALANYL}AMINO)-2-METHYLPROPYL](HYDROXY)PHOSPHORYL]PROPANOIC ACID | A,B,C | 2PJA | 0.72 | |
XX4 | 3-(2-AMINO-6-BENZOYLQUINAZOLIN- 3(4H)-YL)-N-CYCLOHEXYL-N-METHYLPROPANAMIDE | A,B,C | 2Q11 | 0.74 | |
51U | D-phenylalanyl-N-(3-methylbenzyl)- L-prolinamide | H,I | 2ZF0 | 0.72 | |
DQB | 4-[(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN- 6-YL)METHYL]AMINO}BENZOYL)AMINO]BUTANOIC ACID | A | 1ZLY | 0.72 | |
SN8 | 1,6-DIMETHYL-4-(4-(4-(1-METHYLPYRIDINIUM- 4-YLAMINO)PHENYLCARBAMOYL)PHENYLAMINO)QUINOLINIUM | A,B | 1ZPH | 0.74 | |
GIN | 2-{[(6-OXO-1,6-DIHYDROPYRIDIN-3- YL)METHYL]AMINO}-N-[4-PROPYL-3- (TRIFLUOROMETHYL)PHENYL]BENZAMIDE | A,B | 2HZ0 | 0.74 | |
AGB | N-(1-ADAMANTYL)-N'-(4-GUANIDINOBENZYL)UREA | A | 1EJN | 0.74 | |
49U | (S)-N-(4-carbamimidoylbenzyl)-1- (3-cyclopentylpropanoyl)pyrrolidine- 2-carboxamide | A | 2ZDN | 0.71 | |
49U | (S)-N-(4-carbamimidoylbenzyl)-1- (3-cyclopentylpropanoyl)pyrrolidine- 2-carboxamide | H,I | 2ZHF | 0.71 | |
INH | N-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2- PHENYLETHYL)GLYCYL-L-ARGININE-N- PHENYLAMIDE | A | 1SLN | 0.84 | |
INH | N-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2- PHENYLETHYL)GLYCYL-L-ARGININE-N- PHENYLAMIDE | A | 2SRT | 0.84 | |
INH | N-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2- PHENYLETHYL)GLYCYL-L-ARGININE-N- PHENYLAMIDE | A | 3BG8 | 0.84 |