MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01779425

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
1LP	TRANYLCYPROMINE	A,B	1OJB	0.88
AC0	1-PHENYLETHANONE	A	1ZK1	0.86
AC0	1-PHENYLETHANONE	A	1ZK4	0.86
FPR	PROPYLBENZENE	C	1RHK	0.75
OXE	ORTHO-XYLENE	A,B	3E0X	0.73
OXE	ORTHO-XYLENE	A	188L	0.73
PSS	ETHYLAMINOBENZYLMETHYLCARBONYL GROUP	A	1EAG	0.72
PBP	1-(4-BROMO-PHENYL)-ETHANONE	A,B	2OK9	0.74
PBP	1-(4-BROMO-PHENYL)-ETHANONE	A,B	1Z76	0.74
PBP	1-(4-BROMO-PHENYL)-ETHANONE	A	1BK9	0.74
HCI	HYDROCINNAMIC ACID	A,B	1BXG	0.73
HCI	HYDROCINNAMIC ACID	A,B	1TOG	0.73
HCI	HYDROCINNAMIC ACID	A,B	1V2F	0.73
HCI	HYDROCINNAMIC ACID	A,B	1AHX	0.73
HCI	HYDROCINNAMIC ACID	A	1TOI	0.73
HCI	HYDROCINNAMIC ACID	A,B	1AY8	0.73
HCI	HYDROCINNAMIC ACID	A	1TOJ	0.73
DMW	2,3-DIMETHYL-1,4-NAPHTHOQUINONE	A,B,C,D,E,F	2BS4	0.77
MQ8	MENAQUINONE 8	C,H,L,M	1EYS	0.75
CLT	4-PHENYL-BUTANOIC ACID	A	1THL	0.73
CLT	4-PHENYL-BUTANOIC ACID	A,B	2AY7	0.73
CLT	4-PHENYL-BUTANOIC ACID	E,I	1TMN	0.73
BZQ	DIPHENYLMETHANONE	A,B	1GT5	0.8
BZQ	DIPHENYLMETHANONE	A,B	1DZP	0.8
HBX	benzaldehyde	A,B	3GDN	0.9
RS7	(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACID	A,B	2P0M	0.7
RS7	(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACID	A	1LOX	0.7
DPH	DEAMINO-METHYL-PHENYLALANINE	A	1OS0	0.73
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJI	0.73
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJJ	0.73
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2VS2	0.73
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	1OD1	0.73
DPH	DEAMINO-METHYL-PHENYLALANINE	E	1EPR	0.73
PXY	PARA-XYLENE	A	187L	0.75
PXY	PARA-XYLENE	A	225L	0.75
PAC	2-PHENYLACETIC ACID	B	1PNL	0.71
PAC	2-PHENYLACETIC ACID	B	1K5Q	0.71
PAC	2-PHENYLACETIC ACID	B	1FXH	0.71
PAC	2-PHENYLACETIC ACID	A	2ISF	0.71
PAC	2-PHENYLACETIC ACID	A	2INE	0.71
1PB	1,4-DIPHENYL-2-BUTENE	A,B	1OJ9	0.71
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.73
MQ9	MENAQUINONE-9	C,H,L,M	3D38	0.75
MQ9	MENAQUINONE-9	C,H,L,M	1VRN	0.75
MQ9	MENAQUINONE-9	C,H,L,M	2I5N	0.75
MQ9	MENAQUINONE-9	C,H,L,M,U	1DXR	0.75
IBP	IBUPROFEN	A	3FKX	0.7
IBP	IBUPROFEN	A,B	2BXG	0.7
IBP	IBUPROFEN	A,B	1EQG	0.7
IBP	IBUPROFEN	A,B,C	2WD9	0.7
IBP	IBUPROFEN	A	2PWS	0.7
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1DPM	0.72
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1P6B	0.72
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1PSC	0.72
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	3E3H	0.72
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1QW7	0.72
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1P6C	0.72
HPQ	HOMOPHENYLALANINYLMETHANE	B	1EWP	0.7
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.73
PHA	PHENYLALANINAL	A,B	1OB2	0.76
PHA	PHENYLALANINAL	V,Y,Z	2WDG	0.76
PHA	PHENYLALANINAL	V,Y,Z	2WDK	0.76
PHA	PHENYLALANINAL	1,2,4,5,A,B, C,D,E,J,K,L, M,N,O,P,R,S, T,U,V,Z	1M90	0.76
PHA	PHENYLALANINAL	P	3SGA	0.76
PHA	PHENYLALANINAL	A,B,C,D,E,F	1OB5	0.76
PHA	PHENYLALANINAL	V,Y,Z	2WDM	0.76
PHA	PHENYLALANINAL	0,2,4,9,A,B, C,H,I,J,K,L, M,N,P,Q,R,S, T,X,Y,Z	1KQS	0.76
PHA	PHENYLALANINAL	A,B	1KDV	0.76
PHA	PHENYLALANINAL	1,2,4,5,6,A, B,C,D,E,J,K, L,M,N,O,P,R, S,T,U,V,Z	1Q86	0.76
PHA	PHENYLALANINAL	A,B	1KDY	0.76
PHA	PHENYLALANINAL	V,Y,Z	3FIC	0.76
PHA	PHENYLALANINAL	V,Y,Z	2WDH	0.76
PHA	PHENYLALANINAL	A,B	1KE2	0.76
BP4	BIPHENYL-4-YL-ACETALDEHYDE	A,B,E,F,G,H	1MHW	0.83
MBN	TOLUENE	A,B	3D7O	0.74
MBN	TOLUENE	A,B	1R1X	0.74
MBN	TOLUENE	A,B	1JLX	0.74
MBN	TOLUENE	A,B,C,D	3D17	0.74
MBN	TOLUENE	A,B	2VRL	0.74
MBN	TOLUENE	A,I	2Z3E	0.74
MBN	TOLUENE	A,B	1YZI	0.74
MBN	TOLUENE	A,B	2DN1	0.74
MBN	TOLUENE	A,B	3EN1	0.74
I4B	ISOBUTYLBENZENE	A	184L	0.73
MQ7	MENAQUINONE-7	C,H,L,M	1PRC	0.75
MQ7	MENAQUINONE-7	A,B,D,M,N,P	2B76	0.75
MQ7	MENAQUINONE-7	C,H,L,M	5PRC	0.75
MQ7	MENAQUINONE-7	C,H,L,M	7PRC	0.75
MQ7	MENAQUINONE-7	C,H,L,M	2PRC	0.75
MQ7	MENAQUINONE-7	C,H,L,M	1R2C	0.75
MQ7	MENAQUINONE-7	A,B,C,E,F,G	2VPW	0.75
MQ7	MENAQUINONE-7	C,H,L,M	3PRC	0.75
MQ7	MENAQUINONE-7	A,B,D,M,N,O,P	1L0V	0.75
MQ7	MENAQUINONE-7	C,H,L,M	2JBL	0.75
MQ7	MENAQUINONE-7	C,H,L,M	6PRC	0.75
CVB	4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACID	A,B	1KE0	0.73
9TA	1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)- ETHYLAMINO]-ANTHRAQUINONE	A,B	1FDG	0.73
HY1	PHENYLACETALDEHYDE	D,H	2I0S	0.9
HY1	PHENYLACETALDEHYDE	A,B	1D6Y	0.9
HY1	PHENYLACETALDEHYDE	A,B	1D6Z	0.9
HY1	PHENYLACETALDEHYDE	D,H	2OK4	0.9
HY1	PHENYLACETALDEHYDE	A,B	1D6U	0.9
OST	METHYL (2Z)-3-METHOXY-2-{2-[(E)- 2-PHENYLVINYL]PHENYL}ACRYLATE	C,D,E	1SQQ	0.71
PYL	PHENYLETHANE	C	1B07	0.75
PYL	PHENYLETHANE	A,B	2VRM	0.75
PYL	PHENYLETHANE	A	1NHB	0.75
TCA	PHENYLETHYLENECARBOXYLIC ACID	A	1BE6	0.74
TCA	PHENYLETHYLENECARBOXYLIC ACID	A	1BE8	0.74
TCA	PHENYLETHYLENECARBOXYLIC ACID	A,B,C,D,E,F, G,H	2O78	0.74
N4B	N-BUTYLBENZENE	A	186L	0.75
HPK	(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATE	A	2PUH	0.75
PHM	PHENYLALANYLMETHANE	A,I	1PJP	0.7
PHM	PHENYLALANYLMETHANE	A,B,C	2J9J	0.7
PHM	PHENYLALANYLMETHANE	A,B,C	2JE4	0.7
LEG	1-(4-HEXYLPHENYL)PROP-2-EN-1-ONE	A,B	2PIN	0.85
PBA	PHENYLETHANE BORONIC ACID	C,G	6CHA	0.73
3PL	3-PHENYLPROPANAL	E	1Y3G	0.92
PQN	PHYLLOQUINONE	A,B,C,F,I,J, K,L,M,X	1JB0	0.75
PQN	PHYLLOQUINONE	1,2,3,4,A,B, C,F,G,H,I,J, K,L	2O01	0.75
PQN	PHYLLOQUINONE	A,B,C,F,K,L	2PPS	0.75
PQN	PHYLLOQUINONE	A,B,C,F,K,L	1C51	0.75
PQN	PHYLLOQUINONE	0,1,2,3,4,5, 6,7,8,9,A,B, C,F,G,H,J,K, L,P,Q,R,U,V, W,Z	1QZV	0.75
VK3	MENADIONE	A	1TUV	0.77
VK3	MENADIONE	A,B	2QR2	0.77