MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00480835

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
AHT	4-(2,5-DIAMINO-5-HYDROXY-PENTYL)- PHENOL	I,T	1TMB	0.79
ZYA	BENZOYL-TYROSINE-ALANINE-METHYL KETONE	A	1AIM	0.7
GB2	(2R,3R,4S)-2-({[(1S)-2-HYDROXY- 1-PHENYLETHYL]AMINO}METHYL)PYRROLIDINE- 3,4-DIOL	A	2F1A	0.73
OTS	4-(2S-AMINO-1-HYDROXYETHYL)PHENOL	A,B	1RG2	0.75
OTS	4-(2S-AMINO-1-HYDROXYETHYL)PHENOL	A,B	1RG1	0.75
OTS	4-(2S-AMINO-1-HYDROXYETHYL)PHENOL	A,B	1RH0	0.75
OTS	4-(2S-AMINO-1-HYDROXYETHYL)PHENOL	A,B	1RGU	0.75
OTS	4-(2S-AMINO-1-HYDROXYETHYL)PHENOL	A,B	1RGT	0.75
REN	(S)-reticuline	A	3FWA	0.72
REN	(S)-reticuline	A	3D2D	0.72
GB1	(2R,3R,4S)-2-({[(1R)-2-HYDROXY- 1-PHENYLETHYL]AMINO}METHYL)PYRROLIDINE- 3,4-DIOL	A	2F18	0.73
RM2	4-HYDROXY-N-PROPARGYL-1(R)-AMINOINDAN	A,B	2C66	0.76
LDP	L-DOPAMINE	A,B	2A3R	0.78
LDP	L-DOPAMINE	A	5PAH	0.78
LDP	L-DOPAMINE	A,B	2QMZ	0.78
LDP	L-DOPAMINE	A,B	2VQ5	0.78
AED	4-(2-aminoethyl)-2-cyclohexylphenol	A	3BUH	0.76
GHP	4-HYDROXYPHENYLGLYCINE	A	1DSR	0.74
B3Y	(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACID	A	3HF0	0.74
B3Y	(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACID	A	2OXK	0.74
B3Y	(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACID	A,B,C	2OXJ	0.74
OTR	4-(2R-AMINO-1-HYDROXYETHYL)PHENOL	A,B	1RGT	0.75
OTR	4-(2R-AMINO-1-HYDROXYETHYL)PHENOL	A,B	1RG2	0.75
OTR	4-(2R-AMINO-1-HYDROXYETHYL)PHENOL	A,B	2AN4	0.75
NLT	N-DODECANOYL-L-TYROSINE	A,B,C,D,E,F, G,H	2G0B	0.71
DGH	(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1W7Q	0.74
DGH	(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D,E,F, G,H	1W7R	0.74
AEF	4-(2-aminoethyl)phenol	A	3BRA	0.79
790	1,2,3,4-TETRAHYDROQUINOLIN-8-YL DIHYDROGEN PHOSPHATE	A	1O4F	0.73
4HL	4-(HYDRAZINOMETHYL)PHENOL	A,B	2E2U	0.77
AEJ	(1S)-1-{4-[(9AR)-OCTAHYDRO-2H-PYRIDO[1,2- A]PYRAZIN-2-YL]PHENYL}-2-PHENYL- 1,2,3,4-TETRAHYDROISOQUINOLIN-6- OL	A,B,C,D	1XQC	0.72
AEG	4-[(2R)-2-aminopropyl]phenol	A	3BUF	0.81
RHP	(3R)-3-(PROP-2-YNYLAMINO)INDAN- 5-OL	A,B	1S3E	0.85
Y13	(2E)-3-(3,4-DIHYDROXYPHENYL)-N- [2-(4-HYDROXYPHENYL)ETHYL]ACRYLAMIDE	A	2EW6	0.74
AEH	4-(2-aminoethyl)-2-ethylphenol	A	3BUG	0.77
099	(2R)-N~4~-hydroxy-2-(3-hydroxybenzyl)- N~1~-[(1S,2R)-2-hydroxy-2,3-dihydro- 1H-inden-1-yl]butanediamide	A,B	3HYG	0.72
YOF	3-FLUOROTYROSINE	A,B	1XIL	0.72
YOF	3-FLUOROTYROSINE	A,B	1XDC	0.72
YOF	3-FLUOROTYROSINE	A	1RRX	0.72
YOF	3-FLUOROTYROSINE	A,B	3FYG	0.72
MOY	[(4R)-4-(3-HYDROXYPHENYL)-1,6-DIMETHYL- 2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN- 5-YL](PHENYL)METHANONE	A,B	2IEH	0.7
NAT	ETHYL 4-(3-HYDROXYPHENYL)-6-METHYL- 2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE- 5-CARBOXYLATE	A,B	1Q0B	0.71
NAT	ETHYL 4-(3-HYDROXYPHENYL)-6-METHYL- 2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE- 5-CARBOXYLATE	A,B	1X88	0.71
DAH	3,4-DIHYDROXYPHENYLALANINE	A,B	1RNR	0.72
DAH	3,4-DIHYDROXYPHENYLALANINE	A	6PAH	0.72
DAH	3,4-DIHYDROXYPHENYLALANINE	A,B	1IVV	0.72
TYC	L-TYROSINAMIDE	A	2BF9	0.76
TYC	L-TYROSINAMIDE	A	2OCI	0.76
108	2-(5-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)- PROPIONIC ACID	A	1G3B	0.74
108	2-(5-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)- PROPIONIC ACID	A	1G3D	0.74
109	2-(4-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)- PROPIONIC ACID	A	1G3C	0.77
109	2-(4-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)- PROPIONIC ACID	A	1G3E	0.77
CRV	N-[1-(AMINOMETHYL)CYCLOPROPYL]- 3-(BENZYLSULFONYL)-N~2~-[(1S)-2,2,2- TRIFLUORO-1-(4-HYDROXYPHENYL)ETHYL]- L-ALANINAMIDE	A,B	2FRA	0.72
TY3	3-HYDROXY-L-TYROSINE	A,B	2VH3	0.72
YTT	(3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine- 2,5-dione	A	3G5H	0.78
P12	4-[AMINO(IMINO)METHYL]-1-[2-(3- AMMONIOPROPOXY)-5-METHOXYBENZYL]PIPERAZIN- 1-IUM	B	1UUI	0.72
TYP	CYCLO-(L-TYROSINE-L-PROLINE) INHIBITOR	A,B	1W1Y	0.76
BM4	3-[(3R)-3-ethyl-1-{9-[(3S)-3-ethyl- 3-(3-hydroxyphenyl)azepan-1-yl]nonyl}azepan- 3-yl]phenol	X	2W6C	0.73
44B	1,1,1,3,3,3-HEXAFLUORO-2-{4-[(2,2,2- TRIFLUOROETHYL)AMINO]PHENYL}PROPAN- 2-OL	A,B,C,D	1PQ9	0.7
LNR	L-NOREPINEPHRINE	A,B	2QEO	0.73
LNR	L-NOREPINEPHRINE	A	3DYE	0.73
LNR	L-NOREPINEPHRINE	A	4PAH	0.73
TTL	TRANS-(1S,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN- 1-OL	A,B	2AN5	0.71
098	(3R)-N~2~-(cyclopropylmethyl)-N~1~- hydroxy-3-(3-hydroxybenzyl)-N~4~- [(1S,2R)-2-hydroxy-2,3-dihydro- 1H-inden-1-yl]-L-aspartamide	A,B	3HY9	0.71
GB3	(2R,3R,4S,5R)-2-({[(1R)-2-HYDROXY- 1-PHENYLETHYL]AMINO}METHYL)-5-METHYLPYRROLIDINE- 3,4-DIOL	A	2F1B	0.73
IYR	3-IODO-TYROSINE	A	2D98	0.72
IYR	3-IODO-TYROSINE	A	2D8P	0.72
IYR	3-IODO-TYROSINE	A,B	3GFD	0.72
IYR	3-IODO-TYROSINE	A	2R1Q	0.72
IYR	3-IODO-TYROSINE	A	2ZP1	0.72
IYR	3-IODO-TYROSINE	A,B,C,D	2ZXV	0.72
IYR	3-IODO-TYROSINE	C	1CF0	0.72
IYR	3-IODO-TYROSINE	A	1XXZ	0.72
IYR	3-IODO-TYROSINE	A	2D97	0.72
IYR	3-IODO-TYROSINE	A	1XY9	0.72
IYR	3-IODO-TYROSINE	A	2Z10	0.72
IYR	3-IODO-TYROSINE	A	1WQ3	0.72
IYR	3-IODO-TYROSINE	A	2D8O	0.72
IYR	3-IODO-TYROSINE	A	2D8W	0.72
IYR	3-IODO-TYROSINE	A	2Z11	0.72
247	(3R)-3-amino-2,2-difluoro-3-(4- hydroxyphenyl)propanoic acid	A,B	2QVE	0.73
D4P	(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A	1DSR	0.74
D4P	(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D,E,F, G,H	1W7R	0.74
D4P	(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1W7Q	0.74
PZM	1-(4-METHOXYPHENYL)METHANAMINE	A,D,H	2HJB	0.7
IYG	N-ALPHA-ACETYL-3,5-DIIODOTYROSYLGLYCINE	A	1OPM	0.71
3XH	3-Hydroxyhippuric acid	A	3E9K	0.71
MTY	META-TYROSINE	A	2TOH	0.76
MTY	META-TYROSINE	A,B	1BIQ	0.76
MTY	META-TYROSINE	A	1Q7O	0.76
SAF	3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOL	A	1GQR	0.86
SAF	3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOL	A	1GQS	0.86
3QC	(4R)-4-(3-HYDROXYPHENYL)-N,N,7,8- TETRAMETHYL-3,4-DIHYDROISOQUINOLINE- 2(1H)-CARBOXAMIDE	A,B	2FME	0.75
DPD		A,B	1QIW	0.7
DPD		A	1QIV	0.7
TYB	TYROSINAL	A,B	1KDZ	0.73
TYB	TYROSINAL	A	1Q11	0.73
TYB	TYROSINAL	A,B	2J5B	0.73
TYB	TYROSINAL	A,I	1GA4	0.73
TYB	TYROSINAL	A,B,C	1NLU	0.73
TYB	TYROSINAL	A,B	1KE1	0.73
TYB	TYROSINAL	A,B	1H3F	0.73
TYB	TYROSINAL	A,B	1H3E	0.73
MA0	(1R)-6-HYDROXY-N-METHYL-N-[(1Z)- PROP-2-EN-1-YLIDENE]INDAN-1-AMINIUM	A,B	2C64	0.76
ALE	L-EPINEPHRINE	A	3PAH	0.76
ALE	L-EPINEPHRINE	A	2HKK	0.76
SGI	3-(4-hydroxyphenyl)propanamide	A,B	2R9K	0.7
CTL	CIS-(1R,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN- 1-OL	A,B	2AN3	0.71
DTY	D-TYROSINE	A	1C4B	0.73
DTY	D-TYROSINE	A,L	1ZEA	0.73
DTY	D-TYROSINE	A,B,C,D,E,F, G,H	1OF6	0.73
DTY	D-TYROSINE	A,B	1UNO	0.73
DTY	D-TYROSINE	A	2IGZ	0.73
DTY	D-TYROSINE	A,B,C,H,K,L	2R5D	0.73
DTY	D-TYROSINE	A,B	2Q33	0.73
DTY	D-TYROSINE	H,S	2H9E	0.73
DTY	D-TYROSINE	A,B,C,H,K,L	2R5B	0.73
DTY	D-TYROSINE	A	2IH0	0.73
DTY	D-TYROSINE	A	1D7T	0.73
DTY	D-TYROSINE	A,B	1XA0	0.73
D3P	(2R)-AMINO(3,5-DIHYDROXYPHENYL)ACETIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1W7Q	0.71
D3P	(2R)-AMINO(3,5-DIHYDROXYPHENYL)ACETIC ACID	A,B,C,D,E,F, G,H	1W7R	0.71